1-[1-(ethylamino)-4-methyl-1-oxopent-4-en-2-yl]cyclopentane-1-carboxamide

C14H24N2O2 — CID 89225878

IUPAC1-[1-(ethylamino)-4-methyl-1-oxopent-4-en-2-yl]cyclopentane-1-carboxamide
SMILESC=C(C)CC(C(=O)NCC)C1(C(N)=O)CCCC1
InChIInChI=1S/C14H24N2O2/c1-4-16-12(17)11(9-10(2)3)14(13(15)18)7-5-6-8-14/h11H,2,4-9H2,1,3H3,(H2,15,18)(H,16,17)
InChIKeyRVQVXAIHKNDQSJ-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.75
Rot. Bonds6

About 1-[1-(ethylamino)-4-methyl-1-oxopent-4-en-2-yl]cyclopentane-1-carboxamide

1-[1-(ethylamino)-4-methyl-1-oxopent-4-en-2-yl]cyclopentane-1-carboxamide (PubChem CID 89225878) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-[1-(ethylamino)-4-methyl-1-oxopent-4-en-2-yl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-[1-(ethylamino)-4-methyl-1-oxopent-4-en-2-yl]cyclopentane-1-carboxamide
PubChem CID89225878
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-[1-(ethylamino)-4-methyl-1-oxopent-4-en-2-yl]cyclopentane-1-carboxamide
SMILESC=C(C)CC(C(=O)NCC)C1(C(N)=O)CCCC1
InChIInChI=1S/C14H24N2O2/c1-4-16-12(17)11(9-10(2)3)14(13(15)18)7-5-6-8-14/h11H,2,4-9H2,1,3H3,(H2,15,18)(H,16,17)
InChIKeyRVQVXAIHKNDQSJ-UHFFFAOYSA-N
XLogP1.75
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[1-(ethylamino)-4-methyl-1-oxopent-4-en-2-yl]cyclopentane-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 1-[1-(ethylamino)-4-methyl-1-oxopent-4-en-2-yl]cyclopentane-1-carboxamide?
The IUPAC name of 1-[1-(ethylamino)-4-methyl-1-oxopent-4-en-2-yl]cyclopentane-1-carboxamide (CID 89225878) is 1-[1-(ethylamino)-4-methyl-1-oxopent-4-en-2-yl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-[1-(ethylamino)-4-methyl-1-oxopent-4-en-2-yl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-[1-(ethylamino)-4-methyl-1-oxopent-4-en-2-yl]cyclopentane-1-carboxamide is C=C(C)CC(C(=O)NCC)C1(C(N)=O)CCCC1.
What is the InChIKey of 1-[1-(ethylamino)-4-methyl-1-oxopent-4-en-2-yl]cyclopentane-1-carboxamide?
The InChIKey is RVQVXAIHKNDQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-4-16-12(17)11(9-10(2)3)14(13(15)18)7-5-6-8-14/h11H,2,4-9H2,1,3H3,(H2,15,18)(H,16,17).
What are the key properties of 1-[1-(ethylamino)-4-methyl-1-oxopent-4-en-2-yl]cyclopentane-1-carboxamide?
1-[1-(ethylamino)-4-methyl-1-oxopent-4-en-2-yl]cyclopentane-1-carboxamide has a molecular weight of 252.36 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(ethylamino)-4-methyl-1-oxopent-4-en-2-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 89225878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).