1-[1-(methylamino)cyclopentyl]prop-2-en-1-one

C9H15NO — CID 130573811

IUPAC1-[1-(methylamino)cyclopentyl]prop-2-en-1-one
SMILESC=CC(=O)C1(NC)CCCC1
InChIInChI=1S/C9H15NO/c1-3-8(11)9(10-2)6-4-5-7-9/h3,10H,1,4-7H2,2H3
InChIKeyABKTWMLOYANAGH-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.27
Rot. Bonds3

About 1-[1-(methylamino)cyclopentyl]prop-2-en-1-one

1-[1-(methylamino)cyclopentyl]prop-2-en-1-one (PubChem CID 130573811) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 1-[1-(methylamino)cyclopentyl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[1-(methylamino)cyclopentyl]prop-2-en-1-one
PubChem CID130573811
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name1-[1-(methylamino)cyclopentyl]prop-2-en-1-one
SMILESC=CC(=O)C1(NC)CCCC1
InChIInChI=1S/C9H15NO/c1-3-8(11)9(10-2)6-4-5-7-9/h3,10H,1,4-7H2,2H3
InChIKeyABKTWMLOYANAGH-UHFFFAOYSA-N
XLogP1.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[1-(methylamino)cyclopentyl]prop-2-en-1-one with MolForge

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

Launch Full Analysis

Related Compounds

1-[1-(methylamino)cycloheptyl]ethanone
CID 59493685
1-(methylamino)cyclobutane-1-carbonyl chloride
CID 139476856
1-(but-3-en-2-ylamino)cyclobutane-1-carboxylic acid
CID 81167556
N-methyl-1-(methylamino)-N-[2-(methylamino)ethyl]cyclopentane-1-carboxamide
CID 54084361
1-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 65241928
1-formamidocyclohexane-1-carboxylic acid
CID 61147418
1,3,5-tris(methylamino)cyclohexane-1,3,5-tricarboxylic acid
CID 174766010
1-(prop-2-enylsulfonylamino)cyclohexane-1-carboxylic acid
CID 79673370
1-[bis(prop-2-enyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 61192725
1-(methylcarbamoylamino)cyclobutane-1-carboxylic acid
CID 81162026
N-(1-hydroxycyclohexyl)prop-2-enamide
CID 18433901
1-[[(2R)-1-oxopropan-2-yl]amino]cyclohexane-1-carboxylic acid
CID 152629201

Frequently Asked Questions

What is the IUPAC name of 1-[1-(methylamino)cyclopentyl]prop-2-en-1-one?
The IUPAC name of 1-[1-(methylamino)cyclopentyl]prop-2-en-1-one (CID 130573811) is 1-[1-(methylamino)cyclopentyl]prop-2-en-1-one.
What is the SMILES notation for 1-[1-(methylamino)cyclopentyl]prop-2-en-1-one?
The canonical SMILES for 1-[1-(methylamino)cyclopentyl]prop-2-en-1-one is C=CC(=O)C1(NC)CCCC1.
What is the InChIKey of 1-[1-(methylamino)cyclopentyl]prop-2-en-1-one?
The InChIKey is ABKTWMLOYANAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-3-8(11)9(10-2)6-4-5-7-9/h3,10H,1,4-7H2,2H3.
What are the key properties of 1-[1-(methylamino)cyclopentyl]prop-2-en-1-one?
1-[1-(methylamino)cyclopentyl]prop-2-en-1-one has a molecular weight of 153.22 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(methylamino)cyclopentyl]prop-2-en-1-one is sourced from PubChem (CID 130573811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).