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'}

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Related Compounds

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2-Amino-1-(3,6-dihydro-2H-pyridin-1-yl)-3-methyl-pentan-1-one
CID 44364213
(2R)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 73352938
(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 73356020
3-[(Z)-2-amino-4-fluoropent-3-enyl]pyrrolidin-2-one
CID 169685498
4-amino-N-(3,3,3-trifluoropropyl)cyclopent-2-ene-1-carboxamide
CID 79207052
4-amino-N-methyl-N-(3,3,3-trifluoropropyl)cyclopent-2-ene-1-carboxamide
CID 79207067
(4-Aminocyclopent-2-en-1-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 79207068
(4-Aminocyclopent-2-en-1-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 79207218
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CID 79208280

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).