(1R,7R,13E)-1-amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2,10-dien-5-one

C15H20N2O — CID 46216698

IUPAC(1R,7R,13E)-1-amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2,10-dien-5-one
SMILESC/C=C1\C2C=C(C)C[C@]1(N)C1=CCC(=O)N[C@@H]1C2
InChIInChI=1S/C15H20N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-4,6,10,13H,5,7-8,16H2,1-2H3,(H,17,18)/b11-3+/t10?,13-,15-/m1/s1
InChIKeyGCXCXTBYZODEJR-WFCQXNAGSA-N
MW244.34 g/mol
LogP1.82
Rot. Bonds

About (1R,7R,13E)-1-amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2,10-dien-5-one

(1R,7R,13E)-1-amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2,10-dien-5-one (PubChem CID 46216698) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is (1R,7R,13E)-1-amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2,10-dien-5-one.

Molecular Properties

Compound Name(1R,7R,13E)-1-amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2,10-dien-5-one
PubChem CID46216698
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name(1R,7R,13E)-1-amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2,10-dien-5-one
SMILESC/C=C1\C2C=C(C)C[C@]1(N)C1=CCC(=O)N[C@@H]1C2
InChIInChI=1S/C15H20N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-4,6,10,13H,5,7-8,16H2,1-2H3,(H,17,18)/b11-3+/t10?,13-,15-/m1/s1
InChIKeyGCXCXTBYZODEJR-WFCQXNAGSA-N
XLogP1.82
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.82
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

N-(3-bicyclo[3.3.1]non-6-enyl)acetamide
CID 12444220
3-amino-N-(7-ethyl-2-bicyclo[3.3.1]non-6-enyl)propanamide
CID 122499351
7-amino-4-butyl-4a,5,6,7,8,8a-hexahydro-1H-quinolin-2-one
CID 123682999
(1R,9S,11S,13E)-1,11-diamino-13-ethylidene-6-azatricyclo[7.3.1.02,7]trideca-2(7),3-dien-5-one
CID 10444568
(1S,9R,11S)-1,11-diamino-13-ethylidene-6-azatricyclo[7.3.1.02,7]trideca-2(7),3-dien-5-one
CID 10467062
N-(3-bicyclo[3.3.1]non-6-enyl)propanamide
CID 12739445
(1R,9S,11S)-1,11-diamino-13-ethylidene-6-azatricyclo[7.3.1.02,7]trideca-2(7),3-dien-5-one
CID 22829267
(1S,9R,11R,13E)-1,11-diamino-13-ethylidene-6-azatricyclo[7.3.1.02,7]trideca-2(7),3-dien-5-one
CID 101660152
(1R,9S,11R,13E)-1,11-diamino-13-ethylidene-6-azatricyclo[7.3.1.02,7]trideca-2(7),3-dien-5-one
CID 101660153
(1S,9R,11S,13E)-1,11-diamino-13-ethylidene-6-azatricyclo[7.3.1.02,7]trideca-2(7),3-dien-5-one
CID 101660154
N-[(1R,3R,5S)-3-bicyclo[3.3.1]non-6-enyl]acetamide
CID 130848211
N-[(1S,3S,5R)-3-bicyclo[3.3.1]non-6-enyl]propanamide
CID 131020369

Frequently Asked Questions

What is the IUPAC name of (1R,7R,13E)-1-amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2,10-dien-5-one?
The IUPAC name of (1R,7R,13E)-1-amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2,10-dien-5-one (CID 46216698) is (1R,7R,13E)-1-amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2,10-dien-5-one.
What is the SMILES notation for (1R,7R,13E)-1-amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2,10-dien-5-one?
The canonical SMILES for (1R,7R,13E)-1-amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2,10-dien-5-one is C/C=C1\C2C=C(C)C[C@]1(N)C1=CCC(=O)N[C@@H]1C2.
What is the InChIKey of (1R,7R,13E)-1-amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2,10-dien-5-one?
The InChIKey is GCXCXTBYZODEJR-WFCQXNAGSA-N. The full InChI is InChI=1S/C15H20N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-4,6,10,13H,5,7-8,16H2,1-2H3,(H,17,18)/b11-3+/t10?,13-,15-/m1/s1.
What are the key properties of (1R,7R,13E)-1-amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2,10-dien-5-one?
(1R,7R,13E)-1-amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2,10-dien-5-one has a molecular weight of 244.34 g/mol, XLogP of 1.82, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,7R,13E)-1-amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2,10-dien-5-one is sourced from PubChem (CID 46216698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).