(1R,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-dien-6-one

C15H20N2O — CID 5351589

IUPAC(1R,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-dien-6-one
SMILESO=c1cccc2n1C[C@H]1C[C@@H]2CN2CCCC[C@H]12
InChIInChI=1S/C15H20N2O/c18-15-6-3-5-14-11-8-12(10-17(14)15)13-4-1-2-7-16(13)9-11/h3,5-6,11-13H,1-2,4,7-10H2/t11-,12-,13-/m1/s1
InChIKeyFQEQMASDZFXSJI-JHJVBQTASA-N
MW244.34 g/mol
LogP1.82
Rot. Bonds

About (1R,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-dien-6-one

(1R,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-dien-6-one (PubChem CID 5351589) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is (1R,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-dien-6-one.

Molecular Properties

Compound Name(1R,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-dien-6-one
PubChem CID5351589
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name(1R,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-dien-6-one
SMILESO=c1cccc2n1C[C@H]1C[C@@H]2CN2CCCC[C@H]12
InChIInChI=1S/C15H20N2O/c18-15-6-3-5-14-11-8-12(10-17(14)15)13-4-1-2-7-16(13)9-11/h3,5-6,11-13H,1-2,4,7-10H2/t11-,12-,13-/m1/s1
InChIKeyFQEQMASDZFXSJI-JHJVBQTASA-N
XLogP1.82
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1R,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-dien-6-one with MolForge

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Related Compounds

(1S,9R)-11-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 98117905
(1S,9R,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,5-dien-4-one
CID 163050009
(1R,2R,3R,9R,10R)-2-hydroxy-3-[[(1R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]methyl]-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
CID 10837946
(1S,9S,10R)-7-aza-15-azoniatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-dien-6-one
CID 11859174
(1R,9R,17S)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4-dien-6-one
CID 6551054
1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
CID 167066966
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-4-oxo-4-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]butanamide
CID 51816014
(1R,9S,10R)-14-methyl-7-aza-14-azoniatetracyclo[7.6.1.02,7.010,14]hexadeca-2,4-dien-6-one
CID 99979179
(1S,9R,10R)-10-hydroxy-11-oxa-7-azatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 163104393
(1S,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane
CID 131705291
(1R,2R,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane
CID 6101950
7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-2-en-6-one
CID 520559

Frequently Asked Questions

What is the IUPAC name of (1R,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-dien-6-one?
The IUPAC name of (1R,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-dien-6-one (CID 5351589) is (1R,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-dien-6-one.
What is the SMILES notation for (1R,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-dien-6-one?
The canonical SMILES for (1R,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-dien-6-one is O=c1cccc2n1C[C@H]1C[C@@H]2CN2CCCC[C@H]12.
What is the InChIKey of (1R,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-dien-6-one?
The InChIKey is FQEQMASDZFXSJI-JHJVBQTASA-N. The full InChI is InChI=1S/C15H20N2O/c18-15-6-3-5-14-11-8-12(10-17(14)15)13-4-1-2-7-16(13)9-11/h3,5-6,11-13H,1-2,4,7-10H2/t11-,12-,13-/m1/s1.
What are the key properties of (1R,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-dien-6-one?
(1R,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-dien-6-one has a molecular weight of 244.34 g/mol, XLogP of 1.82, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-dien-6-one is sourced from PubChem (CID 5351589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).