(Z)-2-cyano-N-cyclopentyl-3-(diethylamino)prop-2-enamide

C13H21N3O — CID 108835592

IUPAC(Z)-2-cyano-N-cyclopentyl-3-(diethylamino)prop-2-enamide
SMILESCCN(/C=C(/C#N)C(=O)NC1CCCC1)CC
InChIInChI=1S/C13H21N3O/c1-3-16(4-2)10-11(9-14)13(17)15-12-7-5-6-8-12/h10,12H,3-8H2,1-2H3,(H,15,17)/b11-10-
InChIKeyPYGQMVRTLSUVSO-KHPPLWFESA-N
MW235.33 g/mol
LogP1.79
Rot. Bonds5

About (Z)-2-cyano-N-cyclopentyl-3-(diethylamino)prop-2-enamide

(Z)-2-cyano-N-cyclopentyl-3-(diethylamino)prop-2-enamide (PubChem CID 108835592) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is (Z)-2-cyano-N-cyclopentyl-3-(diethylamino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-cyclopentyl-3-(diethylamino)prop-2-enamide
PubChem CID108835592
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name(Z)-2-cyano-N-cyclopentyl-3-(diethylamino)prop-2-enamide
SMILESCCN(/C=C(/C#N)C(=O)NC1CCCC1)CC
InChIInChI=1S/C13H21N3O/c1-3-16(4-2)10-11(9-14)13(17)15-12-7-5-6-8-12/h10,12H,3-8H2,1-2H3,(H,15,17)/b11-10-
InChIKeyPYGQMVRTLSUVSO-KHPPLWFESA-N
XLogP1.79
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.79
H-Bond Donors ≤ 51
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-cyclododecyl-3-(dibutylamino)prop-2-enamide
CID 108862693
(Z)-2-cyano-N-cyclohexyl-3-[(1,1-dioxothiolan-3-yl)-ethylamino]prop-2-enamide
CID 108831526
(Z)-2-cyano-N-cyclohexyl-3-(methylamino)prop-2-enamide
CID 108831518
(Z)-2-cyano-N-cyclododecyl-3-[2-(diethylamino)ethylamino]prop-2-enamide
CID 108862674
(Z)-3-(butan-2-ylamino)-2-cyano-N-cyclopentylprop-2-enamide
CID 108835446
(Z)-2-cyano-N-cyclododecyl-3-[3-(diethylamino)propylamino]prop-2-enamide
CID 108862694
2-cyano-N-cyclohexyl-3-[4-(diethylamino)phenyl]prop-2-enamide
CID 3674797
(Z)-3-(butan-2-ylamino)-2-cyano-N-cyclohexylprop-2-enamide
CID 108831373
(Z)-2-cyano-N-cyclododecyl-3-[2-(dimethylamino)ethylamino]prop-2-enamide
CID 108862743
(Z)-2-cyano-N-cyclohexyl-3-[4-(diethylamino)-2-methylanilino]prop-2-enamide
CID 108831610
(Z)-2-cyano-N-cyclohexyl-3-(cyclopropylamino)prop-2-enamide
CID 108831586
(Z)-2-cyano-N-cyclododecyl-3-(2-methylpropylamino)prop-2-enamide
CID 108862557

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-cyclopentyl-3-(diethylamino)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-cyclopentyl-3-(diethylamino)prop-2-enamide (CID 108835592) is (Z)-2-cyano-N-cyclopentyl-3-(diethylamino)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-cyclopentyl-3-(diethylamino)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-cyclopentyl-3-(diethylamino)prop-2-enamide is CCN(/C=C(/C#N)C(=O)NC1CCCC1)CC.
What is the InChIKey of (Z)-2-cyano-N-cyclopentyl-3-(diethylamino)prop-2-enamide?
The InChIKey is PYGQMVRTLSUVSO-KHPPLWFESA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-16(4-2)10-11(9-14)13(17)15-12-7-5-6-8-12/h10,12H,3-8H2,1-2H3,(H,15,17)/b11-10-.
What are the key properties of (Z)-2-cyano-N-cyclopentyl-3-(diethylamino)prop-2-enamide?
(Z)-2-cyano-N-cyclopentyl-3-(diethylamino)prop-2-enamide has a molecular weight of 235.33 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-cyclopentyl-3-(diethylamino)prop-2-enamide is sourced from PubChem (CID 108835592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).