(Z)-2-cyano-N-cyclopentyl-3-(1H-indol-3-yl)prop-2-enamide

C17H17N3O — CID 23476689

IUPAC(Z)-2-cyano-N-cyclopentyl-3-(1H-indol-3-yl)prop-2-enamide
SMILESN#C/C(=C/c1c[nH]c2ccccc12)C(=O)NC1CCCC1
InChIInChI=1S/C17H17N3O/c18-10-12(17(21)20-14-5-1-2-6-14)9-13-11-19-16-8-4-3-7-15(13)16/h3-4,7-9,11,14,19H,1-2,5-6H2,(H,20,21)/b12-9-
InChIKeyAFISNYKBCDONGR-XFXZXTDPSA-N
MW279.34 g/mol
LogP3.13
Rot. Bonds3

About (Z)-2-cyano-N-cyclopentyl-3-(1H-indol-3-yl)prop-2-enamide

(Z)-2-cyano-N-cyclopentyl-3-(1H-indol-3-yl)prop-2-enamide (PubChem CID 23476689) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is (Z)-2-cyano-N-cyclopentyl-3-(1H-indol-3-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-cyclopentyl-3-(1H-indol-3-yl)prop-2-enamide
PubChem CID23476689
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name(Z)-2-cyano-N-cyclopentyl-3-(1H-indol-3-yl)prop-2-enamide
SMILESN#C/C(=C/c1c[nH]c2ccccc12)C(=O)NC1CCCC1
InChIInChI=1S/C17H17N3O/c18-10-12(17(21)20-14-5-1-2-6-14)9-13-11-19-16-8-4-3-7-15(13)16/h3-4,7-9,11,14,19H,1-2,5-6H2,(H,20,21)/b12-9-
InChIKeyAFISNYKBCDONGR-XFXZXTDPSA-N
XLogP3.13
TPSA68.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

3-[2-cyano-3-(cyclopentylamino)-3-oxoprop-1-enyl]-1H-indole-6-carboxylic acid
CID 136556133
2-cyano-N-(1,1-dioxothiolan-3-yl)-3-(1H-indol-3-yl)prop-2-enamide
CID 4115390
(E)-2-cyano-N-cyclohexyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide
CID 6859437
(E)-2-cyano-N-[4-[[(E)-2-cyano-3-(1H-indol-3-yl)prop-2-enoyl]amino]phenyl]-3-(1H-indol-3-yl)prop-2-enamide
CID 1181989
2-cyano-3-(1H-indol-3-yl)-N-phenylprop-2-enamide
CID 959247
(Z)-2-cyano-N-cyclopentyl-3-(2-fluorophenyl)prop-2-enamide
CID 51322190
N-cyclopentyl-3-(1H-indol-3-yl)prop-2-enamide
CID 73338847
(Z)-3-(1H-indol-3-yl)-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile
CID 2390471
(Z)-N-(4-chlorophenyl)-2-cyano-3-(1H-indol-3-yl)prop-2-enamide
CID 760976
2-cyano-3-(1H-indol-3-yl)-N-(2-phenylethyl)prop-2-enamide
CID 842168
2-cyano-N-cycloheptyl-3-(5-phenyl-1H-pyrazol-4-yl)prop-2-enamide
CID 4198925
(E)-2-cyano-N-cyclohexyl-3-(5-phenyl-1H-pyrazol-4-yl)prop-2-enamide
CID 6291228

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-cyclopentyl-3-(1H-indol-3-yl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-cyclopentyl-3-(1H-indol-3-yl)prop-2-enamide (CID 23476689) is (Z)-2-cyano-N-cyclopentyl-3-(1H-indol-3-yl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-cyclopentyl-3-(1H-indol-3-yl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-cyclopentyl-3-(1H-indol-3-yl)prop-2-enamide is N#C/C(=C/c1c[nH]c2ccccc12)C(=O)NC1CCCC1.
What is the InChIKey of (Z)-2-cyano-N-cyclopentyl-3-(1H-indol-3-yl)prop-2-enamide?
The InChIKey is AFISNYKBCDONGR-XFXZXTDPSA-N. The full InChI is InChI=1S/C17H17N3O/c18-10-12(17(21)20-14-5-1-2-6-14)9-13-11-19-16-8-4-3-7-15(13)16/h3-4,7-9,11,14,19H,1-2,5-6H2,(H,20,21)/b12-9-.
What are the key properties of (Z)-2-cyano-N-cyclopentyl-3-(1H-indol-3-yl)prop-2-enamide?
(Z)-2-cyano-N-cyclopentyl-3-(1H-indol-3-yl)prop-2-enamide has a molecular weight of 279.34 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-cyclopentyl-3-(1H-indol-3-yl)prop-2-enamide is sourced from PubChem (CID 23476689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).