(Z)-2-cyano-N-cyclohexyl-3-(methylamino)prop-2-enamide

C11H17N3O — CID 108831518

IUPAC(Z)-2-cyano-N-cyclohexyl-3-(methylamino)prop-2-enamide
SMILESCN/C=C(/C#N)C(=O)NC1CCCCC1
InChIInChI=1S/C11H17N3O/c1-13-8-9(7-12)11(15)14-10-5-3-2-4-6-10/h8,10,13H,2-6H2,1H3,(H,14,15)/b9-8-
InChIKeyUVSYVJYNPZSLDG-HJWRWDBZSA-N
MW207.28 g/mol
LogP1.06
Rot. Bonds3

About (Z)-2-cyano-N-cyclohexyl-3-(methylamino)prop-2-enamide

(Z)-2-cyano-N-cyclohexyl-3-(methylamino)prop-2-enamide (PubChem CID 108831518) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is (Z)-2-cyano-N-cyclohexyl-3-(methylamino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-cyclohexyl-3-(methylamino)prop-2-enamide
PubChem CID108831518
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name(Z)-2-cyano-N-cyclohexyl-3-(methylamino)prop-2-enamide
SMILESCN/C=C(/C#N)C(=O)NC1CCCCC1
InChIInChI=1S/C11H17N3O/c1-13-8-9(7-12)11(15)14-10-5-3-2-4-6-10/h8,10,13H,2-6H2,1H3,(H,14,15)/b9-8-
InChIKeyUVSYVJYNPZSLDG-HJWRWDBZSA-N
XLogP1.06
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-cyano-N-cyclohexyl-3-(cyclopropylamino)prop-2-enamide
CID 108831586
(Z)-3-(butan-2-ylamino)-2-cyano-N-cyclohexylprop-2-enamide
CID 108831373
(Z)-2-cyano-N-cyclododecyl-3-[(2-methylcyclohexyl)amino]prop-2-enamide
CID 108862697
(Z)-2-cyano-N-cyclododecyl-3-(2-methylpropylamino)prop-2-enamide
CID 108862557
2-[[(Z)-2-cyano-3-(cyclohexylamino)-3-oxoprop-1-enyl]amino]propanoic acid
CID 108831400
(Z)-3-(butan-2-ylamino)-2-cyano-N-cyclopentylprop-2-enamide
CID 108835446
(Z)-3-(2-chloroethylamino)-2-cyano-N-cyclohexylprop-2-enamide
CID 108831425
(Z)-2-cyano-N-cyclododecyl-3-[2-(dimethylamino)ethylamino]prop-2-enamide
CID 108862743
(Z)-2-cyano-N-cyclohexyl-3-(pyrimidin-2-ylamino)prop-2-enamide
CID 108831470
(Z)-2-cyano-N-cyclohexyl-3-[(4-methyl-1,3-thiazol-2-yl)amino]prop-2-enamide
CID 108831459
(Z)-2-cyano-N-cyclododecyl-3-[2-(diethylamino)ethylamino]prop-2-enamide
CID 108862674
(Z)-3-(3-chloropropylamino)-2-cyano-N-cyclopentylprop-2-enamide
CID 108835499

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-cyclohexyl-3-(methylamino)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-cyclohexyl-3-(methylamino)prop-2-enamide (CID 108831518) is (Z)-2-cyano-N-cyclohexyl-3-(methylamino)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-cyclohexyl-3-(methylamino)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-cyclohexyl-3-(methylamino)prop-2-enamide is CN/C=C(/C#N)C(=O)NC1CCCCC1.
What is the InChIKey of (Z)-2-cyano-N-cyclohexyl-3-(methylamino)prop-2-enamide?
The InChIKey is UVSYVJYNPZSLDG-HJWRWDBZSA-N. The full InChI is InChI=1S/C11H17N3O/c1-13-8-9(7-12)11(15)14-10-5-3-2-4-6-10/h8,10,13H,2-6H2,1H3,(H,14,15)/b9-8-.
What are the key properties of (Z)-2-cyano-N-cyclohexyl-3-(methylamino)prop-2-enamide?
(Z)-2-cyano-N-cyclohexyl-3-(methylamino)prop-2-enamide has a molecular weight of 207.28 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-cyclohexyl-3-(methylamino)prop-2-enamide is sourced from PubChem (CID 108831518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).