(NZ)-N-[(15R,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-16-ylidene]hydroxylamine

C19H23N3O — CID 11001371

IUPAC(NZ)-N-[(15R,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-16-ylidene]hydroxylamine
SMILESCC[C@]12CCCN3CCc4c(n(c5ccccc45)C/C1=N\O)[C@@H]32
InChIInChI=1S/C19H23N3O/c1-2-19-9-5-10-21-11-8-14-13-6-3-4-7-15(13)22(12-16(19)20-23)17(14)18(19)21/h3-4,6-7,18,23H,2,5,8-12H2,1H3/b20-16+/t18-,19+/m1/s1
InChIKeyZDGCVKPERVTZOZ-XQPBFXKYSA-N
MW309.41 g/mol
LogP3.57
Rot. Bonds1

About (NZ)-N-[(15R,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-16-ylidene]hydroxylamine

(NZ)-N-[(15R,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-16-ylidene]hydroxylamine (PubChem CID 11001371) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is (NZ)-N-[(15R,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-16-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(15R,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-16-ylidene]hydroxylamine
PubChem CID11001371
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name(NZ)-N-[(15R,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-16-ylidene]hydroxylamine
SMILESCC[C@]12CCCN3CCc4c(n(c5ccccc45)C/C1=N\O)[C@@H]32
InChIInChI=1S/C19H23N3O/c1-2-19-9-5-10-21-11-8-14-13-6-3-4-7-15(13)22(12-16(19)20-23)17(14)18(19)21/h3-4,6-7,18,23H,2,5,8-12H2,1H3/b20-16+/t18-,19+/m1/s1
InChIKeyZDGCVKPERVTZOZ-XQPBFXKYSA-N
XLogP3.57
TPSA40.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (NZ)-N-[(15R,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-16-ylidene]hydroxylamine with MolForge

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Related Compounds

(15S,19R)-15-ethyl-16-methylidene-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-one
CID 53305183
(15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene
CID 15559073
(15S,19R)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene
CID 15559074
(15S,16R,17R,19R)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene-16,17-diol
CID 44613905
15-ethyl-17-methyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene
CID 14825826
sodium (15R,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene-17-carboxylate
CID 24777908
(15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-yl)methanol
CID 628233
1-[(15S,19R)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaen-15-yl]ethanone
CID 162946036
[(15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaen-17-yl]-piperazin-1-ylmethanone
CID 67786627
bis(ethyl (15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene-17-carboxylate);hydrochloride
CID 135324899
(E)-3-[(15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaen-17-yl]prop-2-enoic acid
CID 122485446
15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene-17-carbonitrile
CID 123964098

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(15R,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-16-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(15R,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-16-ylidene]hydroxylamine (CID 11001371) is (NZ)-N-[(15R,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-16-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(15R,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-16-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(15R,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-16-ylidene]hydroxylamine is CC[C@]12CCCN3CCc4c(n(c5ccccc45)C/C1=N\O)[C@@H]32.
What is the InChIKey of (NZ)-N-[(15R,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-16-ylidene]hydroxylamine?
The InChIKey is ZDGCVKPERVTZOZ-XQPBFXKYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-2-19-9-5-10-21-11-8-14-13-6-3-4-7-15(13)22(12-16(19)20-23)17(14)18(19)21/h3-4,6-7,18,23H,2,5,8-12H2,1H3/b20-16+/t18-,19+/m1/s1.
What are the key properties of (NZ)-N-[(15R,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-16-ylidene]hydroxylamine?
(NZ)-N-[(15R,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-16-ylidene]hydroxylamine has a molecular weight of 309.41 g/mol, XLogP of 3.57, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(15R,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-16-ylidene]hydroxylamine is sourced from PubChem (CID 11001371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).