N-[(1R,2R)-2-prop-2-enylcyclohexyl]prop-2-enamide

C12H19NO — CID 135045191

IUPACN-[(1R,2R)-2-prop-2-enylcyclohexyl]prop-2-enamide
SMILESC=CC[C@H]1CCCC[C@H]1NC(=O)C=C
InChIInChI=1S/C12H19NO/c1-3-7-10-8-5-6-9-11(10)13-12(14)4-2/h3-4,10-11H,1-2,5-9H2,(H,13,14)/t10-,11+/m0/s1
InChIKeyIYPKOXHYNMZRPT-WDEREUQCSA-N
MW193.29 g/mol
LogP2.42
Rot. Bonds4

About N-[(1R,2R)-2-prop-2-enylcyclohexyl]prop-2-enamide

N-[(1R,2R)-2-prop-2-enylcyclohexyl]prop-2-enamide (PubChem CID 135045191) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is N-[(1R,2R)-2-prop-2-enylcyclohexyl]prop-2-enamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-prop-2-enylcyclohexyl]prop-2-enamide
PubChem CID135045191
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC NameN-[(1R,2R)-2-prop-2-enylcyclohexyl]prop-2-enamide
SMILESC=CC[C@H]1CCCC[C@H]1NC(=O)C=C
InChIInChI=1S/C12H19NO/c1-3-7-10-8-5-6-9-11(10)13-12(14)4-2/h3-4,10-11H,1-2,5-9H2,(H,13,14)/t10-,11+/m0/s1
InChIKeyIYPKOXHYNMZRPT-WDEREUQCSA-N
XLogP2.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-4-methyl-N-(2-methylcyclohexyl)pent-2-enamide
CID 57527781
N-(cyclohexylmethyl)prop-2-enamide
CID 14872606
2,2,2-trichloro-N-(1-cyclohexylprop-2-enyl)acetamide
CID 69032480
4a,5,6,7,8,8a-Hexahydro-2(1H)-quinolinone
CID 69255011
N-[(1S,2R)-2-ethenylcyclohexyl]-2,2,2-trifluoroacetamide
CID 118374455
2-Propenamide, N-(1-cyclohexylethyl)-
CID 541857
2,2,2-trichloro-N-[(1R)-1-cyclohexylprop-2-enyl]acetamide
CID 11161926
(E)-N,3-dicyclohexylprop-2-enamide
CID 127126842
N-(2-cyclohex-2-en-1-ylethyl)prop-2-enamide
CID 132487677
N-[3-(2-methylidenecyclohexyl)propyl]prop-2-enamide
CID 132487679
N-[(1S,2S)-2-prop-2-enylcyclohexyl]acetamide
CID 134862425
N-(6-methylhept-1-en-4-yl)prop-2-enamide
CID 178336419

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-prop-2-enylcyclohexyl]prop-2-enamide?
The IUPAC name of N-[(1R,2R)-2-prop-2-enylcyclohexyl]prop-2-enamide (CID 135045191) is N-[(1R,2R)-2-prop-2-enylcyclohexyl]prop-2-enamide.
What is the SMILES notation for N-[(1R,2R)-2-prop-2-enylcyclohexyl]prop-2-enamide?
The canonical SMILES for N-[(1R,2R)-2-prop-2-enylcyclohexyl]prop-2-enamide is C=CC[C@H]1CCCC[C@H]1NC(=O)C=C.
What is the InChIKey of N-[(1R,2R)-2-prop-2-enylcyclohexyl]prop-2-enamide?
The InChIKey is IYPKOXHYNMZRPT-WDEREUQCSA-N. The full InChI is InChI=1S/C12H19NO/c1-3-7-10-8-5-6-9-11(10)13-12(14)4-2/h3-4,10-11H,1-2,5-9H2,(H,13,14)/t10-,11+/m0/s1.
What are the key properties of N-[(1R,2R)-2-prop-2-enylcyclohexyl]prop-2-enamide?
N-[(1R,2R)-2-prop-2-enylcyclohexyl]prop-2-enamide has a molecular weight of 193.29 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-prop-2-enylcyclohexyl]prop-2-enamide is sourced from PubChem (CID 135045191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).