(8S,15R,19S)-15-ethyl-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6-trien-18-one

C19H24N2O — CID 134952791

IUPAC(8S,15R,19S)-15-ethyl-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6-trien-18-one
SMILESCC[C@@]12CCCN3CC[C@H]4c5ccccc5N(C(=O)CC1)[C@]432
InChIInChI=1S/C19H24N2O/c1-2-18-10-5-12-20-13-9-15-14-6-3-4-7-16(14)21(19(15,18)20)17(22)8-11-18/h3-4,6-7,15H,2,5,8-13H2,1H3/t15-,18+,19-/m0/s1
InChIKeyBUDRLZGHZYGRIQ-IPELMVKDSA-N
MW296.41 g/mol
LogP3.50
Rot. Bonds1

About (8S,15R,19S)-15-ethyl-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6-trien-18-one

(8S,15R,19S)-15-ethyl-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6-trien-18-one (PubChem CID 134952791) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is (8S,15R,19S)-15-ethyl-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6-trien-18-one.

Molecular Properties

Compound Name(8S,15R,19S)-15-ethyl-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6-trien-18-one
PubChem CID134952791
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name(8S,15R,19S)-15-ethyl-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6-trien-18-one
SMILESCC[C@@]12CCCN3CC[C@H]4c5ccccc5N(C(=O)CC1)[C@]432
InChIInChI=1S/C19H24N2O/c1-2-18-10-5-12-20-13-9-15-14-6-3-4-7-16(14)21(19(15,18)20)17(22)8-11-18/h3-4,6-7,15H,2,5,8-13H2,1H3/t15-,18+,19-/m0/s1
InChIKeyBUDRLZGHZYGRIQ-IPELMVKDSA-N
XLogP3.50
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (8S,15R,19S)-15-ethyl-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6-trien-18-one with MolForge

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Related Compounds

(8S,15R)-15-ethyl-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6-trien-18-one
CID 72715580
15-ethyl-9-hydroxy-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6-triene-10,18-dione
CID 78156562
15-ethyl-8-hydroxy-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6-trien-18-one
CID 78155425
(7aR)-3,4,5,6,7,7a-hexahydro-2H-pyrrolo[2,1-k]carbazol-1-one
CID 132551726
(6S,11S)-11-hydroxy-7-oxa-2-azatetracyclo[10.4.0.02,6.06,10]hexadeca-1(16),8,12,14-tetraen-3-one
CID 134844769
(12R)-8,12-diethyl-8,16-diazatetracyclo[10.6.1.02,7.016,19]nonadeca-1(19),2,4,6,17-pentaen-9-one
CID 11848175
13,14,15-trihydroxy-16-oxa-5-azatetracyclo[10.3.1.01,5.06,11]hexadeca-6,8,10-trien-4-one
CID 155807601
(1S,10S,12R,19S)-12-ethyl-19-hydroxy-8,16-diazapentacyclo[10.6.1.01,10.02,7.016,19]nonadeca-2,4,6-triene-9,17-dione
CID 139041781
(1S,9R,16S,19R)-16-ethyl-2,12-diazapentacyclo[10.6.1.01,9.03,8.016,19]nonadeca-3,5,7-trien-13-one
CID 11231775
10-azatetracyclo[11.4.0.02,6.06,10]heptadeca-1(17),13,15-triene
CID 20593971
(1S,17S)-17-ethyl-20-pentyl-3,13,20-triazapentacyclo[11.7.0.01,17.02,10.04,9]icosa-2(10),4,6,8-tetraen-19-one
CID 153284553
methyl 3-[3-ethyl-1-[2-(1-methyl-2,3-dihydroindol-3-yl)acetyl]-2-oxopiperidin-3-yl]-3-oxopropanoate
CID 10250386

Frequently Asked Questions

What is the IUPAC name of (8S,15R,19S)-15-ethyl-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6-trien-18-one?
The IUPAC name of (8S,15R,19S)-15-ethyl-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6-trien-18-one (CID 134952791) is (8S,15R,19S)-15-ethyl-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6-trien-18-one.
What is the SMILES notation for (8S,15R,19S)-15-ethyl-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6-trien-18-one?
The canonical SMILES for (8S,15R,19S)-15-ethyl-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6-trien-18-one is CC[C@@]12CCCN3CC[C@H]4c5ccccc5N(C(=O)CC1)[C@]432.
What is the InChIKey of (8S,15R,19S)-15-ethyl-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6-trien-18-one?
The InChIKey is BUDRLZGHZYGRIQ-IPELMVKDSA-N. The full InChI is InChI=1S/C19H24N2O/c1-2-18-10-5-12-20-13-9-15-14-6-3-4-7-16(14)21(19(15,18)20)17(22)8-11-18/h3-4,6-7,15H,2,5,8-13H2,1H3/t15-,18+,19-/m0/s1.
What are the key properties of (8S,15R,19S)-15-ethyl-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6-trien-18-one?
(8S,15R,19S)-15-ethyl-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6-trien-18-one has a molecular weight of 296.41 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8S,15R,19S)-15-ethyl-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2,4,6-trien-18-one is sourced from PubChem (CID 134952791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).