(1R,6S)-N-ethyl-9-azatricyclo[4.3.0.02,9]non-3-ene-1-carboxamide

C11H16N2O — CID 132524255

IUPAC(1R,6S)-N-ethyl-9-azatricyclo[4.3.0.02,9]non-3-ene-1-carboxamide
SMILESCCNC(=O)[C@]12C3C=CC[C@H]1CCN32
InChIInChI=1S/C11H16N2O/c1-2-12-10(14)11-8-4-3-5-9(11)13(11)7-6-8/h3,5,8-9H,2,4,6-7H2,1H3,(H,12,14)/t8-,9?,11+,13?/m0/s1
InChIKeyMITUINNDQJZJPQ-UPLNTUIUSA-N
MW192.26 g/mol
LogP0.53
Rot. Bonds2

About (1R,6S)-N-ethyl-9-azatricyclo[4.3.0.02,9]non-3-ene-1-carboxamide

(1R,6S)-N-ethyl-9-azatricyclo[4.3.0.02,9]non-3-ene-1-carboxamide (PubChem CID 132524255) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is (1R,6S)-N-ethyl-9-azatricyclo[4.3.0.02,9]non-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1R,6S)-N-ethyl-9-azatricyclo[4.3.0.02,9]non-3-ene-1-carboxamide
PubChem CID132524255
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name(1R,6S)-N-ethyl-9-azatricyclo[4.3.0.02,9]non-3-ene-1-carboxamide
SMILESCCNC(=O)[C@]12C3C=CC[C@H]1CCN32
InChIInChI=1S/C11H16N2O/c1-2-12-10(14)11-8-4-3-5-9(11)13(11)7-6-8/h3,5,8-9H,2,4,6-7H2,1H3,(H,12,14)/t8-,9?,11+,13?/m0/s1
InChIKeyMITUINNDQJZJPQ-UPLNTUIUSA-N
XLogP0.53
TPSA32.11 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R,2S,6S)-N-ethyl-9-azatricyclo[4.3.0.02,9]non-3-ene-1-carboxamide
CID 178326275
(2S,4S)-4-amino-N-ethyl-1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]pyrrolidine-2-carboxamide
CID 56714127
10-Methyl-1,10-diazaspiro[4.6]undec-7-en-11-one
CID 86063202
(5R)-10-methyl-1,10-diazaspiro[4.6]undec-7-en-11-one
CID 131213590
1-Acetyl-1,10-diazaspiro[4.6]undec-7-en-11-one
CID 139371515
10-Methyl-1,10-diazaspiro[4.6]undec-7-en-11-one;hydrochloride
CID 139371527
1-Methyl-1,10-diazaspiro[4.6]undec-7-en-11-one
CID 139371628
1-(2-Methylpropyl)-1,10-diazaspiro[4.6]undec-7-en-11-one
CID 139371700
1-(2-Methylpropanoyl)-1,10-diazaspiro[4.6]undec-7-en-11-one
CID 139371788
1-(3-Methylbutanoyl)-1,10-diazaspiro[4.6]undec-7-en-11-one
CID 139384076
(2S)-N-(cyclohex-3-en-1-ylmethyl)-1-ethylpyrrolidine-2-carboxamide;molecular hydrogen
CID 145690118
1-(cyclohex-3-ene-1-carbonyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 47158362

Frequently Asked Questions

What is the IUPAC name of (1R,6S)-N-ethyl-9-azatricyclo[4.3.0.02,9]non-3-ene-1-carboxamide?
The IUPAC name of (1R,6S)-N-ethyl-9-azatricyclo[4.3.0.02,9]non-3-ene-1-carboxamide (CID 132524255) is (1R,6S)-N-ethyl-9-azatricyclo[4.3.0.02,9]non-3-ene-1-carboxamide.
What is the SMILES notation for (1R,6S)-N-ethyl-9-azatricyclo[4.3.0.02,9]non-3-ene-1-carboxamide?
The canonical SMILES for (1R,6S)-N-ethyl-9-azatricyclo[4.3.0.02,9]non-3-ene-1-carboxamide is CCNC(=O)[C@]12C3C=CC[C@H]1CCN32.
What is the InChIKey of (1R,6S)-N-ethyl-9-azatricyclo[4.3.0.02,9]non-3-ene-1-carboxamide?
The InChIKey is MITUINNDQJZJPQ-UPLNTUIUSA-N. The full InChI is InChI=1S/C11H16N2O/c1-2-12-10(14)11-8-4-3-5-9(11)13(11)7-6-8/h3,5,8-9H,2,4,6-7H2,1H3,(H,12,14)/t8-,9?,11+,13?/m0/s1.
What are the key properties of (1R,6S)-N-ethyl-9-azatricyclo[4.3.0.02,9]non-3-ene-1-carboxamide?
(1R,6S)-N-ethyl-9-azatricyclo[4.3.0.02,9]non-3-ene-1-carboxamide has a molecular weight of 192.26 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S)-N-ethyl-9-azatricyclo[4.3.0.02,9]non-3-ene-1-carboxamide is sourced from PubChem (CID 132524255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).