N-(cyanomethyl)-N-cyclohexylprop-2-enamide

C11H16N2O — CID 102248410

IUPACN-(cyanomethyl)-N-cyclohexylprop-2-enamide
SMILESC=CC(=O)N(CC#N)C1CCCCC1
InChIInChI=1S/C11H16N2O/c1-2-11(14)13(9-8-12)10-6-4-3-5-7-10/h2,10H,1,3-7,9H2
InChIKeyOTBOOQBNCPORDE-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.86
Rot. Bonds3

About N-(cyanomethyl)-N-cyclohexylprop-2-enamide

N-(cyanomethyl)-N-cyclohexylprop-2-enamide (PubChem CID 102248410) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is N-(cyanomethyl)-N-cyclohexylprop-2-enamide.

Molecular Properties

Compound NameN-(cyanomethyl)-N-cyclohexylprop-2-enamide
PubChem CID102248410
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC NameN-(cyanomethyl)-N-cyclohexylprop-2-enamide
SMILESC=CC(=O)N(CC#N)C1CCCCC1
InChIInChI=1S/C11H16N2O/c1-2-11(14)13(9-8-12)10-6-4-3-5-7-10/h2,10H,1,3-7,9H2
InChIKeyOTBOOQBNCPORDE-UHFFFAOYSA-N
XLogP1.86
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(azepan-1-yl)ethyl]-N-cyclobutylprop-2-enamide
CID 126827314
4-chloro-N-(cyanomethyl)-N-cyclohexylbenzamide
CID 94699877
N-cyclopropyl-N-ethylprop-2-enamide
CID 43616584
2-[cyclohexyl(prop-2-enoyl)amino]ethyl 2-methylprop-2-enoate
CID 118885910
N-(cyanomethyl)-N-cyclopropylcyclopropanecarboxamide
CID 82125075
3-[cyanomethyl(cycloheptyl)amino]propanoic acid
CID 82328498
2-[cyanomethyl(cyclopentyl)amino]acetic acid
CID 60833018
N-cyclohexyl-N-(1-hydroxyethyl)prop-2-enamide
CID 23224348
2-amino-N-(cyanomethyl)-N-cyclobutyl-3,3-dimethylbutanamide
CID 23595876
N-(cyanomethyl)-N-cyclopentyl-5-methyloxolane-3-carboxamide
CID 114825557
2-[di(cyclobutyl)amino]acetonitrile
CID 131203762
1-cyano-N-cyclohexyl-N-ethylcyclopropane-1-carboxamide
CID 80599072

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-N-cyclohexylprop-2-enamide?
The IUPAC name of N-(cyanomethyl)-N-cyclohexylprop-2-enamide (CID 102248410) is N-(cyanomethyl)-N-cyclohexylprop-2-enamide.
What is the SMILES notation for N-(cyanomethyl)-N-cyclohexylprop-2-enamide?
The canonical SMILES for N-(cyanomethyl)-N-cyclohexylprop-2-enamide is C=CC(=O)N(CC#N)C1CCCCC1.
What is the InChIKey of N-(cyanomethyl)-N-cyclohexylprop-2-enamide?
The InChIKey is OTBOOQBNCPORDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-2-11(14)13(9-8-12)10-6-4-3-5-7-10/h2,10H,1,3-7,9H2.
What are the key properties of N-(cyanomethyl)-N-cyclohexylprop-2-enamide?
N-(cyanomethyl)-N-cyclohexylprop-2-enamide has a molecular weight of 192.26 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-N-cyclohexylprop-2-enamide is sourced from PubChem (CID 102248410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).