2-but-3-ynyl-3-methylcyclopentan-1-one

C10H14O — CID 11275107

IUPAC2-but-3-ynyl-3-methylcyclopentan-1-one
SMILESC#CCCC1C(=O)CCC1C
InChIInChI=1S/C10H14O/c1-3-4-5-9-8(2)6-7-10(9)11/h1,8-9H,4-7H2,2H3
InChIKeyRYEYCODBZDVWCT-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.02
Rot. Bonds2

About 2-but-3-ynyl-3-methylcyclopentan-1-one

2-but-3-ynyl-3-methylcyclopentan-1-one (PubChem CID 11275107) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 2-but-3-ynyl-3-methylcyclopentan-1-one.

Molecular Properties

Compound Name2-but-3-ynyl-3-methylcyclopentan-1-one
PubChem CID11275107
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name2-but-3-ynyl-3-methylcyclopentan-1-one
SMILESC#CCCC1C(=O)CCC1C
InChIInChI=1S/C10H14O/c1-3-4-5-9-8(2)6-7-10(9)11/h1,8-9H,4-7H2,2H3
InChIKeyRYEYCODBZDVWCT-UHFFFAOYSA-N
XLogP2.02
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-but-3-ynyl-3-methylcyclopentan-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

2-(3-hydroxypropyl)-3-methylcyclopentan-1-one
CID 130036338
2-(2-but-3-ynyl-3-oxocyclopentyl)acetic acid
CID 139986974
3-methyl-2-(methylsulfonylmethyl)cyclopentan-1-one
CID 18738791
2-[(E)-but-2-enyl]-3-methylcyclopentan-1-one
CID 131233020
2,2-dimethyl-3-[(1S,2R)-2-methyl-5-oxocyclopentyl]propanal
CID 10241447
(3R)-3-methyl-2-(2-methylidenebutyl)cyclopentan-1-one
CID 117069569
5-but-3-ynylpyrrolidin-2-one
CID 15531515
3-but-3-ynylpiperidin-4-one
CID 114451562
trans-(2S,3R)-2-but-3-ynyl-2,3-dimethylcyclohexan-1-one
CID 10035179
1-but-3-ynyl-3-methyl-1,4-diazepane-2,5-dione
CID 64972576
2-methanidyl-3-methylcyclopentan-1-one;uranium
CID 59889972
[(1S)-2-methyl-6-oxo-5-(3-oxobutyl)-2,3,4,4a,5,7,8,8a-octahydro-1H-naphthalen-1-yl] acetate
CID 70624214

Frequently Asked Questions

What is the IUPAC name of 2-but-3-ynyl-3-methylcyclopentan-1-one?
The IUPAC name of 2-but-3-ynyl-3-methylcyclopentan-1-one (CID 11275107) is 2-but-3-ynyl-3-methylcyclopentan-1-one.
What is the SMILES notation for 2-but-3-ynyl-3-methylcyclopentan-1-one?
The canonical SMILES for 2-but-3-ynyl-3-methylcyclopentan-1-one is C#CCCC1C(=O)CCC1C.
What is the InChIKey of 2-but-3-ynyl-3-methylcyclopentan-1-one?
The InChIKey is RYEYCODBZDVWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-3-4-5-9-8(2)6-7-10(9)11/h1,8-9H,4-7H2,2H3.
What are the key properties of 2-but-3-ynyl-3-methylcyclopentan-1-one?
2-but-3-ynyl-3-methylcyclopentan-1-one has a molecular weight of 150.22 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-ynyl-3-methylcyclopentan-1-one is sourced from PubChem (CID 11275107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).