4-[(4-aminocyclopent-2-ene-1-carbonyl)amino]cyclohexane-1-carboxamide

C13H21N3O2 — CID 79211331

IUPAC4-[(4-aminocyclopent-2-ene-1-carbonyl)amino]cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(NC(=O)C2C=CC(N)C2)CC1
InChIInChI=1S/C13H21N3O2/c14-10-4-1-9(7-10)13(18)16-11-5-2-8(3-6-11)12(15)17/h1,4,8-11H,2-3,5-7,14H2,(H2,15,17)(H,16,18)
InChIKeyPFITZJQBRKVRHO-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.05
Rot. Bonds3

About 4-[(4-aminocyclopent-2-ene-1-carbonyl)amino]cyclohexane-1-carboxamide

4-[(4-aminocyclopent-2-ene-1-carbonyl)amino]cyclohexane-1-carboxamide (PubChem CID 79211331) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-[(4-aminocyclopent-2-ene-1-carbonyl)amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[(4-aminocyclopent-2-ene-1-carbonyl)amino]cyclohexane-1-carboxamide
PubChem CID79211331
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name4-[(4-aminocyclopent-2-ene-1-carbonyl)amino]cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(NC(=O)C2C=CC(N)C2)CC1
InChIInChI=1S/C13H21N3O2/c14-10-4-1-9(7-10)13(18)16-11-5-2-8(3-6-11)12(15)17/h1,4,8-11H,2-3,5-7,14H2,(H2,15,17)(H,16,18)
InChIKeyPFITZJQBRKVRHO-UHFFFAOYSA-N
XLogP0.05
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-aminocyclopent-2-ene-1-carbonyl)amino]cyclohexane-1-carboxamide?
The IUPAC name of 4-[(4-aminocyclopent-2-ene-1-carbonyl)amino]cyclohexane-1-carboxamide (CID 79211331) is 4-[(4-aminocyclopent-2-ene-1-carbonyl)amino]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[(4-aminocyclopent-2-ene-1-carbonyl)amino]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[(4-aminocyclopent-2-ene-1-carbonyl)amino]cyclohexane-1-carboxamide is NC(=O)C1CCC(NC(=O)C2C=CC(N)C2)CC1.
What is the InChIKey of 4-[(4-aminocyclopent-2-ene-1-carbonyl)amino]cyclohexane-1-carboxamide?
The InChIKey is PFITZJQBRKVRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c14-10-4-1-9(7-10)13(18)16-11-5-2-8(3-6-11)12(15)17/h1,4,8-11H,2-3,5-7,14H2,(H2,15,17)(H,16,18).
What are the key properties of 4-[(4-aminocyclopent-2-ene-1-carbonyl)amino]cyclohexane-1-carboxamide?
4-[(4-aminocyclopent-2-ene-1-carbonyl)amino]cyclohexane-1-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 0.05, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-aminocyclopent-2-ene-1-carbonyl)amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 79211331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).