(4E)-N-ethylbicyclo[6.1.0]non-4-ene-9-carboxamide

C12H19NO — CID 89182498

IUPAC(4E)-N-ethylbicyclo[6.1.0]non-4-ene-9-carboxamide
SMILESCCNC(=O)C1C2CC/C=C\CCC21
InChIInChI=1S/C12H19NO/c1-2-13-12(14)11-9-7-5-3-4-6-8-10(9)11/h3-4,9-11H,2,5-8H2,1H3,(H,13,14)/b4-3-
InChIKeyPIOUCTHRKDGBIZ-ARJAWSKDSA-N
MW193.29 g/mol
LogP2.11
Rot. Bonds2

About (4E)-N-ethylbicyclo[6.1.0]non-4-ene-9-carboxamide

(4E)-N-ethylbicyclo[6.1.0]non-4-ene-9-carboxamide (PubChem CID 89182498) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (4E)-N-ethylbicyclo[6.1.0]non-4-ene-9-carboxamide.

Molecular Properties

Compound Name(4E)-N-ethylbicyclo[6.1.0]non-4-ene-9-carboxamide
PubChem CID89182498
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(4E)-N-ethylbicyclo[6.1.0]non-4-ene-9-carboxamide
SMILESCCNC(=O)C1C2CC/C=C\CCC21
InChIInChI=1S/C12H19NO/c1-2-13-12(14)11-9-7-5-3-4-6-8-10(9)11/h3-4,9-11H,2,5-8H2,1H3,(H,13,14)/b4-3-
InChIKeyPIOUCTHRKDGBIZ-ARJAWSKDSA-N
XLogP2.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-ethylbicyclo[3.1.0]hexane-6-carboxamide
CID 79600194
(1S,6S)-N-ethylbicyclo[4.1.0]heptane-7-carboxamide
CID 124567047
(1S,5R)-N-ethyl-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 131207269
(4E)-N-tert-butylbicyclo[6.1.0]non-4-ene-9-carboxamide
CID 134331533
(4E)-bicyclo[6.1.0]non-4-ene-9-carboxylic acid
CID 89147518
N-ethylcyclohex-2-ene-1-carboxamide
CID 130738610
(1R,4R,5R,6R,9E,13S,14S)-tricyclo[11.1.0.04,6]tetradec-9-ene-5,14-dicarboxylic acid
CID 51412344
(4Z,8E)-bicyclo[10.1.0]trideca-4,8-diene-13-carboxylic acid
CID 5337761
(1R,8R)-N-cyclohexylbicyclo[6.1.0]non-4-ene-9-carboxamide
CID 814819
(1R,4Z,8R)-N-(4-ethoxyphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 5424959
(1S,4Z,8E,12S)-N-(4-methylphenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
CID 7500029
N-(4-acetylphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 556295

Frequently Asked Questions

What is the IUPAC name of (4E)-N-ethylbicyclo[6.1.0]non-4-ene-9-carboxamide?
The IUPAC name of (4E)-N-ethylbicyclo[6.1.0]non-4-ene-9-carboxamide (CID 89182498) is (4E)-N-ethylbicyclo[6.1.0]non-4-ene-9-carboxamide.
What is the SMILES notation for (4E)-N-ethylbicyclo[6.1.0]non-4-ene-9-carboxamide?
The canonical SMILES for (4E)-N-ethylbicyclo[6.1.0]non-4-ene-9-carboxamide is CCNC(=O)C1C2CC/C=C\CCC21.
What is the InChIKey of (4E)-N-ethylbicyclo[6.1.0]non-4-ene-9-carboxamide?
The InChIKey is PIOUCTHRKDGBIZ-ARJAWSKDSA-N. The full InChI is InChI=1S/C12H19NO/c1-2-13-12(14)11-9-7-5-3-4-6-8-10(9)11/h3-4,9-11H,2,5-8H2,1H3,(H,13,14)/b4-3-.
What are the key properties of (4E)-N-ethylbicyclo[6.1.0]non-4-ene-9-carboxamide?
(4E)-N-ethylbicyclo[6.1.0]non-4-ene-9-carboxamide has a molecular weight of 193.29 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-N-ethylbicyclo[6.1.0]non-4-ene-9-carboxamide is sourced from PubChem (CID 89182498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).