(1R)-1-amino-13-ethylidene-9,11-dimethyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,10-trien-5-one

C16H20N2O — CID 91231117

IUPAC(1R)-1-amino-13-ethylidene-9,11-dimethyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,10-trien-5-one
SMILESCC=C1C2(C)C=C(C)C[C@]1(N)c1ccc(=O)[nH]c1C2
InChIInChI=1S/C16H20N2O/c1-4-13-15(3)7-10(2)8-16(13,17)11-5-6-14(19)18-12(11)9-15/h4-7H,8-9,17H2,1-3H3,(H,18,19)/t15?,16-/m0/s1
InChIKeyURABXDMCYNGKRR-LYKKTTPLSA-N
MW256.35 g/mol
LogP2.39
Rot. Bonds

About (1R)-1-amino-13-ethylidene-9,11-dimethyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,10-trien-5-one

(1R)-1-amino-13-ethylidene-9,11-dimethyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,10-trien-5-one (PubChem CID 91231117) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is (1R)-1-amino-13-ethylidene-9,11-dimethyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,10-trien-5-one.

Molecular Properties

Compound Name(1R)-1-amino-13-ethylidene-9,11-dimethyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,10-trien-5-one
PubChem CID91231117
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name(1R)-1-amino-13-ethylidene-9,11-dimethyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,10-trien-5-one
SMILESCC=C1C2(C)C=C(C)C[C@]1(N)c1ccc(=O)[nH]c1C2
InChIInChI=1S/C16H20N2O/c1-4-13-15(3)7-10(2)8-16(13,17)11-5-6-14(19)18-12(11)9-15/h4-7H,8-9,17H2,1-3H3,(H,18,19)/t15?,16-/m0/s1
InChIKeyURABXDMCYNGKRR-LYKKTTPLSA-N
XLogP2.39
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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(1R,9R,10S,11S)-11,13,15-trimethyl-6,13-diazatetracyclo[7.4.3.01,10.02,7]hexadeca-2(7),3,15-trien-5-one
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Frequently Asked Questions

What is the IUPAC name of (1R)-1-amino-13-ethylidene-9,11-dimethyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,10-trien-5-one?
The IUPAC name of (1R)-1-amino-13-ethylidene-9,11-dimethyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,10-trien-5-one (CID 91231117) is (1R)-1-amino-13-ethylidene-9,11-dimethyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,10-trien-5-one.
What is the SMILES notation for (1R)-1-amino-13-ethylidene-9,11-dimethyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,10-trien-5-one?
The canonical SMILES for (1R)-1-amino-13-ethylidene-9,11-dimethyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,10-trien-5-one is CC=C1C2(C)C=C(C)C[C@]1(N)c1ccc(=O)[nH]c1C2.
What is the InChIKey of (1R)-1-amino-13-ethylidene-9,11-dimethyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,10-trien-5-one?
The InChIKey is URABXDMCYNGKRR-LYKKTTPLSA-N. The full InChI is InChI=1S/C16H20N2O/c1-4-13-15(3)7-10(2)8-16(13,17)11-5-6-14(19)18-12(11)9-15/h4-7H,8-9,17H2,1-3H3,(H,18,19)/t15?,16-/m0/s1.
What are the key properties of (1R)-1-amino-13-ethylidene-9,11-dimethyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,10-trien-5-one?
(1R)-1-amino-13-ethylidene-9,11-dimethyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,10-trien-5-one has a molecular weight of 256.35 g/mol, XLogP of 2.39, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-amino-13-ethylidene-9,11-dimethyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,10-trien-5-one is sourced from PubChem (CID 91231117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).