4-amino-N-ethyl-N-methylcyclopent-2-ene-1-carboxamide

C9H16N2O — CID 79211003

IUPAC4-amino-N-ethyl-N-methylcyclopent-2-ene-1-carboxamide
SMILESCCN(C)C(=O)C1C=CC(N)C1
InChIInChI=1S/C9H16N2O/c1-3-11(2)9(12)7-4-5-8(10)6-7/h4-5,7-8H,3,6,10H2,1-2H3
InChIKeyMGHHJLVIMLJLMM-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.37
Rot. Bonds2

About 4-amino-N-ethyl-N-methylcyclopent-2-ene-1-carboxamide

4-amino-N-ethyl-N-methylcyclopent-2-ene-1-carboxamide (PubChem CID 79211003) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 4-amino-N-ethyl-N-methylcyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-ethyl-N-methylcyclopent-2-ene-1-carboxamide
PubChem CID79211003
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name4-amino-N-ethyl-N-methylcyclopent-2-ene-1-carboxamide
SMILESCCN(C)C(=O)C1C=CC(N)C1
InChIInChI=1S/C9H16N2O/c1-3-11(2)9(12)7-4-5-8(10)6-7/h4-5,7-8H,3,6,10H2,1-2H3
InChIKeyMGHHJLVIMLJLMM-UHFFFAOYSA-N
XLogP0.37
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-amino-N-ethyl-N-methylcyclopent-2-ene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-N-methylcyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-ethyl-N-methylcyclopent-2-ene-1-carboxamide (CID 79211003) is 4-amino-N-ethyl-N-methylcyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-ethyl-N-methylcyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-ethyl-N-methylcyclopent-2-ene-1-carboxamide is CCN(C)C(=O)C1C=CC(N)C1.
What is the InChIKey of 4-amino-N-ethyl-N-methylcyclopent-2-ene-1-carboxamide?
The InChIKey is MGHHJLVIMLJLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-3-11(2)9(12)7-4-5-8(10)6-7/h4-5,7-8H,3,6,10H2,1-2H3.
What are the key properties of 4-amino-N-ethyl-N-methylcyclopent-2-ene-1-carboxamide?
4-amino-N-ethyl-N-methylcyclopent-2-ene-1-carboxamide has a molecular weight of 168.24 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-N-methylcyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79211003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).