(Z)-2-cyano-N-cyclopentyl-3-(4-hydroxyanilino)prop-2-enamide

C15H17N3O2 — CID 108835427

IUPAC(Z)-2-cyano-N-cyclopentyl-3-(4-hydroxyanilino)prop-2-enamide
SMILESN#C/C(=C/Nc1ccc(O)cc1)C(=O)NC1CCCC1
InChIInChI=1S/C15H17N3O2/c16-9-11(15(20)18-13-3-1-2-4-13)10-17-12-5-7-14(19)8-6-12/h5-8,10,13,17,19H,1-4H2,(H,18,20)/b11-10-
InChIKeyFGJKHCGTXFWENK-KHPPLWFESA-N
MW271.32 g/mol
LogP2.27
Rot. Bonds4

About (Z)-2-cyano-N-cyclopentyl-3-(4-hydroxyanilino)prop-2-enamide

(Z)-2-cyano-N-cyclopentyl-3-(4-hydroxyanilino)prop-2-enamide (PubChem CID 108835427) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is (Z)-2-cyano-N-cyclopentyl-3-(4-hydroxyanilino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-cyclopentyl-3-(4-hydroxyanilino)prop-2-enamide
PubChem CID108835427
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name(Z)-2-cyano-N-cyclopentyl-3-(4-hydroxyanilino)prop-2-enamide
SMILESN#C/C(=C/Nc1ccc(O)cc1)C(=O)NC1CCCC1
InChIInChI=1S/C15H17N3O2/c16-9-11(15(20)18-13-3-1-2-4-13)10-17-12-5-7-14(19)8-6-12/h5-8,10,13,17,19H,1-4H2,(H,18,20)/b11-10-
InChIKeyFGJKHCGTXFWENK-KHPPLWFESA-N
XLogP2.27
TPSA85.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (Z)-2-cyano-N-cyclopentyl-3-(4-hydroxyanilino)prop-2-enamide with MolForge

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Related Compounds

4-[[(Z)-2-cyano-3-(cyclopentylamino)-3-oxoprop-1-enyl]amino]benzoic acid
CID 108835416
(Z)-2-cyano-N-cyclopentyl-3-(4-propan-2-ylanilino)prop-2-enamide
CID 108835409
(Z)-2-cyano-N-cyclopentyl-3-(4-piperidin-1-ylanilino)prop-2-enamide
CID 108835608
ethyl 4-[[(Z)-2-cyano-3-(cyclododecylamino)-3-oxoprop-1-enyl]amino]benzoate
CID 108862533
(Z)-2-cyano-N-cyclododecyl-3-(pyridin-3-ylamino)prop-2-enamide
CID 108862706
(Z)-3-[4-chloro-3-(trifluoromethyl)anilino]-2-cyano-N-cyclopentylprop-2-enamide
CID 108835512
(Z)-3-(3-acetamidoanilino)-2-cyano-N-cyclododecylprop-2-enamide
CID 108862713
(Z)-2-cyano-N-cyclohexyl-3-(pyrimidin-2-ylamino)prop-2-enamide
CID 108831470
(Z)-2-cyano-N-cyclohexyl-3-(methylamino)prop-2-enamide
CID 108831518
(Z)-2-cyano-N-cyclododecyl-3-(2-fluoroanilino)prop-2-enamide
CID 108862661
(Z)-3-(3-chloro-2-methylanilino)-2-cyano-N-cyclopentylprop-2-enamide
CID 108835417
(Z)-2-cyano-N-cyclohexyl-3-(cyclopropylamino)prop-2-enamide
CID 108831586

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-cyclopentyl-3-(4-hydroxyanilino)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-cyclopentyl-3-(4-hydroxyanilino)prop-2-enamide (CID 108835427) is (Z)-2-cyano-N-cyclopentyl-3-(4-hydroxyanilino)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-cyclopentyl-3-(4-hydroxyanilino)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-cyclopentyl-3-(4-hydroxyanilino)prop-2-enamide is N#C/C(=C/Nc1ccc(O)cc1)C(=O)NC1CCCC1.
What is the InChIKey of (Z)-2-cyano-N-cyclopentyl-3-(4-hydroxyanilino)prop-2-enamide?
The InChIKey is FGJKHCGTXFWENK-KHPPLWFESA-N. The full InChI is InChI=1S/C15H17N3O2/c16-9-11(15(20)18-13-3-1-2-4-13)10-17-12-5-7-14(19)8-6-12/h5-8,10,13,17,19H,1-4H2,(H,18,20)/b11-10-.
What are the key properties of (Z)-2-cyano-N-cyclopentyl-3-(4-hydroxyanilino)prop-2-enamide?
(Z)-2-cyano-N-cyclopentyl-3-(4-hydroxyanilino)prop-2-enamide has a molecular weight of 271.32 g/mol, XLogP of 2.27, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-cyclopentyl-3-(4-hydroxyanilino)prop-2-enamide is sourced from PubChem (CID 108835427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).