1-(2-methoxycyclopenten-1-yl)butan-1-one

C10H16O2 — CID 163494482

IUPAC1-(2-methoxycyclopenten-1-yl)butan-1-one
SMILESCCCC(=O)C1=C(OC)CCC1
InChIInChI=1S/C10H16O2/c1-3-5-9(11)8-6-4-7-10(8)12-2/h3-7H2,1-2H3
InChIKeyCPNFIYXPGNTNMS-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.44
Rot. Bonds4

About 1-(2-methoxycyclopenten-1-yl)butan-1-one

1-(2-methoxycyclopenten-1-yl)butan-1-one (PubChem CID 163494482) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-(2-methoxycyclopenten-1-yl)butan-1-one.

Molecular Properties

Compound Name1-(2-methoxycyclopenten-1-yl)butan-1-one
PubChem CID163494482
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name1-(2-methoxycyclopenten-1-yl)butan-1-one
SMILESCCCC(=O)C1=C(OC)CCC1
InChIInChI=1S/C10H16O2/c1-3-5-9(11)8-6-4-7-10(8)12-2/h3-7H2,1-2H3
InChIKeyCPNFIYXPGNTNMS-UHFFFAOYSA-N
XLogP2.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2-methoxycyclopenten-1-yl)butan-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

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxycyclopenten-1-yl)butan-1-one?
The IUPAC name of 1-(2-methoxycyclopenten-1-yl)butan-1-one (CID 163494482) is 1-(2-methoxycyclopenten-1-yl)butan-1-one.
What is the SMILES notation for 1-(2-methoxycyclopenten-1-yl)butan-1-one?
The canonical SMILES for 1-(2-methoxycyclopenten-1-yl)butan-1-one is CCCC(=O)C1=C(OC)CCC1.
What is the InChIKey of 1-(2-methoxycyclopenten-1-yl)butan-1-one?
The InChIKey is CPNFIYXPGNTNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-3-5-9(11)8-6-4-7-10(8)12-2/h3-7H2,1-2H3.
What are the key properties of 1-(2-methoxycyclopenten-1-yl)butan-1-one?
1-(2-methoxycyclopenten-1-yl)butan-1-one has a molecular weight of 168.24 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxycyclopenten-1-yl)butan-1-one is sourced from PubChem (CID 163494482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).