(E)-2-cyano-3-(cyclopentylamino)but-2-enamide

C10H15N3O — CID 662580

IUPAC(E)-2-cyano-3-(cyclopentylamino)but-2-enamide
SMILESC/C(NC1CCCC1)=C(/C#N)C(N)=O
InChIInChI=1S/C10H15N3O/c1-7(9(6-11)10(12)14)13-8-4-2-3-5-8/h8,13H,2-5H2,1H3,(H2,12,14)/b9-7+
InChIKeyJTIKDXJBMLPXIZ-VQHVLOKHSA-N
MW193.25 g/mol
LogP0.80
Rot. Bonds3

About (E)-2-cyano-3-(cyclopentylamino)but-2-enamide

(E)-2-cyano-3-(cyclopentylamino)but-2-enamide (PubChem CID 662580) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is (E)-2-cyano-3-(cyclopentylamino)but-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-(cyclopentylamino)but-2-enamide
PubChem CID662580
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name(E)-2-cyano-3-(cyclopentylamino)but-2-enamide
SMILESC/C(NC1CCCC1)=C(/C#N)C(N)=O
InChIInChI=1S/C10H15N3O/c1-7(9(6-11)10(12)14)13-8-4-2-3-5-8/h8,13H,2-5H2,1H3,(H2,12,14)/b9-7+
InChIKeyJTIKDXJBMLPXIZ-VQHVLOKHSA-N
XLogP0.80
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.80
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-3-(cyclopentylamino)but-2-enamide
CID 934086
4-(cyclohexylamino)-3-methylpent-3-en-2-one
CID 74047718
cyclohexylurea;methanamine
CID 142108304
2-cyano-N-cyclohexyl-3-(4-methylanilino)but-2-enamide
CID 5210123
methyl (Z)-2-cyano-3-(cyclohexylamino)-3-(disulfanyl)prop-2-enoate
CID 58407909
(E)-3-(4-bromoanilino)-2-cyanobut-2-enamide
CID 2839349
cyclobutylurea;ethane
CID 145319429
2-cyano-N-cyclopentyl-2-methylpropanamide
CID 60778685
(E)-2-cyano-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]but-2-enoic acid
CID 22806968
(Z)-2-cyano-N-cyclohexyl-3-(methylamino)prop-2-enamide
CID 108831518
N-cyclohexyl-2-oxopropanamide
CID 12861109
2-cyano-N-cyclopentylacetamide
CID 5093205

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-3-(cyclopentylamino)but-2-enamide?
The IUPAC name of (E)-2-cyano-3-(cyclopentylamino)but-2-enamide (CID 662580) is (E)-2-cyano-3-(cyclopentylamino)but-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-(cyclopentylamino)but-2-enamide?
The canonical SMILES for (E)-2-cyano-3-(cyclopentylamino)but-2-enamide is C/C(NC1CCCC1)=C(/C#N)C(N)=O.
What is the InChIKey of (E)-2-cyano-3-(cyclopentylamino)but-2-enamide?
The InChIKey is JTIKDXJBMLPXIZ-VQHVLOKHSA-N. The full InChI is InChI=1S/C10H15N3O/c1-7(9(6-11)10(12)14)13-8-4-2-3-5-8/h8,13H,2-5H2,1H3,(H2,12,14)/b9-7+.
What are the key properties of (E)-2-cyano-3-(cyclopentylamino)but-2-enamide?
(E)-2-cyano-3-(cyclopentylamino)but-2-enamide has a molecular weight of 193.25 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-(cyclopentylamino)but-2-enamide is sourced from PubChem (CID 662580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).