N-(1-methylcyclopropyl)cyclohex-2-ene-1-carboxamide

C11H17NO — CID 130615147

IUPACN-(1-methylcyclopropyl)cyclohex-2-ene-1-carboxamide
SMILESCC1(NC(=O)C2C=CCCC2)CC1
InChIInChI=1S/C11H17NO/c1-11(7-8-11)12-10(13)9-5-3-2-4-6-9/h3,5,9H,2,4,6-8H2,1H3,(H,12,13)
InChIKeyWOBWOWZHRGGIAW-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.01
Rot. Bonds2

About N-(1-methylcyclopropyl)cyclohex-2-ene-1-carboxamide

N-(1-methylcyclopropyl)cyclohex-2-ene-1-carboxamide (PubChem CID 130615147) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is N-(1-methylcyclopropyl)cyclohex-2-ene-1-carboxamide.

Molecular Properties

Compound NameN-(1-methylcyclopropyl)cyclohex-2-ene-1-carboxamide
PubChem CID130615147
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC NameN-(1-methylcyclopropyl)cyclohex-2-ene-1-carboxamide
SMILESCC1(NC(=O)C2C=CCCC2)CC1
InChIInChI=1S/C11H17NO/c1-11(7-8-11)12-10(13)9-5-3-2-4-6-9/h3,5,9H,2,4,6-8H2,1H3,(H,12,13)
InChIKeyWOBWOWZHRGGIAW-UHFFFAOYSA-N
XLogP2.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.01
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-ethylcyclohex-2-ene-1-carboxamide
CID 130738610
di(cyclohex-2-en-1-yl)methanone
CID 12625750
N-(1-methylcyclopropyl)cyclopropanecarboxamide
CID 115634337
alumane;cyclohex-2-ene-1-carboxylic acid
CID 173230504
CID 173230696
CID 173230696
cyclohex-2-ene-1-carboxylate
CID 21218503
2-chloro-1-cyclohex-2-en-1-ylethanone
CID 141466272
N-benzylcyclohex-2-ene-1-carboxamide
CID 134888481
cyclohept-2-ene-1-carboxylic acid
CID 10606834
1-[[(1R)-cyclohex-2-ene-1-carbonyl]amino]-3-phenylthiourea
CID 822024
2,2-dichloro-1-cyclohex-2-en-1-ylethanone
CID 57016024
(2E,4E)-1,6-di(cyclohex-2-en-1-yl)hexa-2,4-diene-1,6-dione
CID 102390759

Frequently Asked Questions

What is the IUPAC name of N-(1-methylcyclopropyl)cyclohex-2-ene-1-carboxamide?
The IUPAC name of N-(1-methylcyclopropyl)cyclohex-2-ene-1-carboxamide (CID 130615147) is N-(1-methylcyclopropyl)cyclohex-2-ene-1-carboxamide.
What is the SMILES notation for N-(1-methylcyclopropyl)cyclohex-2-ene-1-carboxamide?
The canonical SMILES for N-(1-methylcyclopropyl)cyclohex-2-ene-1-carboxamide is CC1(NC(=O)C2C=CCCC2)CC1.
What is the InChIKey of N-(1-methylcyclopropyl)cyclohex-2-ene-1-carboxamide?
The InChIKey is WOBWOWZHRGGIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-11(7-8-11)12-10(13)9-5-3-2-4-6-9/h3,5,9H,2,4,6-8H2,1H3,(H,12,13).
What are the key properties of N-(1-methylcyclopropyl)cyclohex-2-ene-1-carboxamide?
N-(1-methylcyclopropyl)cyclohex-2-ene-1-carboxamide has a molecular weight of 179.26 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylcyclopropyl)cyclohex-2-ene-1-carboxamide is sourced from PubChem (CID 130615147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).