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

C13H20N4O2 — CID 108835621

IUPAC(Z)-2-cyano-N-cyclopentyl-3-(3-formamidopropylamino)prop-2-enamide
SMILESN#C/C(=C/NCCCNC=O)C(=O)NC1CCCC1
InChIInChI=1S/C13H20N4O2/c14-8-11(9-15-6-3-7-16-10-18)13(19)17-12-4-1-2-5-12/h9-10,12,15H,1-7H2,(H,16,18)(H,17,19)/b11-9-
InChIKeyKDFHMLISUGJMIM-LUAWRHEFSA-N
MW264.33 g/mol
LogP0.18
Rot. Bonds8

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

(Z)-2-cyano-N-cyclopentyl-3-(3-formamidopropylamino)prop-2-enamide (PubChem CID 108835621) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is (Z)-2-cyano-N-cyclopentyl-3-(3-formamidopropylamino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-cyclopentyl-3-(3-formamidopropylamino)prop-2-enamide
PubChem CID108835621
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name(Z)-2-cyano-N-cyclopentyl-3-(3-formamidopropylamino)prop-2-enamide
SMILESN#C/C(=C/NCCCNC=O)C(=O)NC1CCCC1
InChIInChI=1S/C13H20N4O2/c14-8-11(9-15-6-3-7-16-10-18)13(19)17-12-4-1-2-5-12/h9-10,12,15H,1-7H2,(H,16,18)(H,17,19)/b11-9-
InChIKeyKDFHMLISUGJMIM-LUAWRHEFSA-N
XLogP0.18
TPSA94.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-cyclopentyl-3-(3-formamidopropylamino)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-cyclopentyl-3-(3-formamidopropylamino)prop-2-enamide (CID 108835621) is (Z)-2-cyano-N-cyclopentyl-3-(3-formamidopropylamino)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-cyclopentyl-3-(3-formamidopropylamino)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-cyclopentyl-3-(3-formamidopropylamino)prop-2-enamide is N#C/C(=C/NCCCNC=O)C(=O)NC1CCCC1.
What is the InChIKey of (Z)-2-cyano-N-cyclopentyl-3-(3-formamidopropylamino)prop-2-enamide?
The InChIKey is KDFHMLISUGJMIM-LUAWRHEFSA-N. The full InChI is InChI=1S/C13H20N4O2/c14-8-11(9-15-6-3-7-16-10-18)13(19)17-12-4-1-2-5-12/h9-10,12,15H,1-7H2,(H,16,18)(H,17,19)/b11-9-.
What are the key properties of (Z)-2-cyano-N-cyclopentyl-3-(3-formamidopropylamino)prop-2-enamide?
(Z)-2-cyano-N-cyclopentyl-3-(3-formamidopropylamino)prop-2-enamide has a molecular weight of 264.33 g/mol, XLogP of 0.18, 8 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-(3-formamidopropylamino)prop-2-enamide is sourced from PubChem (CID 108835621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).