3-cyclopentyl-3,4-dihydropyran-2-one

C10H14O2 — CID 69043480

IUPAC3-cyclopentyl-3,4-dihydropyran-2-one
SMILESO=C1OC=CCC1C1CCCC1
InChIInChI=1S/C10H14O2/c11-10-9(6-3-7-12-10)8-4-1-2-5-8/h3,7-9H,1-2,4-6H2
InChIKeyAJIAMPYUUYILSN-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.25
Rot. Bonds1

About 3-cyclopentyl-3,4-dihydropyran-2-one

3-cyclopentyl-3,4-dihydropyran-2-one (PubChem CID 69043480) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 3-cyclopentyl-3,4-dihydropyran-2-one.

Molecular Properties

Compound Name3-cyclopentyl-3,4-dihydropyran-2-one
PubChem CID69043480
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name3-cyclopentyl-3,4-dihydropyran-2-one
SMILESO=C1OC=CCC1C1CCCC1
InChIInChI=1S/C10H14O2/c11-10-9(6-3-7-12-10)8-4-1-2-5-8/h3,7-9H,1-2,4-6H2
InChIKeyAJIAMPYUUYILSN-UHFFFAOYSA-N
XLogP2.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Nepetalactone
CID 92770
nepetalactone cis-trans-form
CID 161367
4abeta,7alpha,7abeta-Nepetalactone
CID 6431022
4aalpha,7alpha,7abeta-Nepetalactone
CID 442430
Nepetalactone, 4aa,7b, 7ab
CID 6431021
(4aR,7R,7aS)-4,7-dimethyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[c]pyran-1-one
CID 12311117
trans-trans-Nepetalactone
CID 6429144
US20230312476, Comparative Example 2
CID 59040690
US20230312476, Comparative Example 4
CID 89937373
Hexyl oxolone
CID 21977469
Pentyloxolone
CID 89723082
4-methyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[c]pyran-1-one
CID 12263010

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-3,4-dihydropyran-2-one?
The IUPAC name of 3-cyclopentyl-3,4-dihydropyran-2-one (CID 69043480) is 3-cyclopentyl-3,4-dihydropyran-2-one.
What is the SMILES notation for 3-cyclopentyl-3,4-dihydropyran-2-one?
The canonical SMILES for 3-cyclopentyl-3,4-dihydropyran-2-one is O=C1OC=CCC1C1CCCC1.
What is the InChIKey of 3-cyclopentyl-3,4-dihydropyran-2-one?
The InChIKey is AJIAMPYUUYILSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c11-10-9(6-3-7-12-10)8-4-1-2-5-8/h3,7-9H,1-2,4-6H2.
What are the key properties of 3-cyclopentyl-3,4-dihydropyran-2-one?
3-cyclopentyl-3,4-dihydropyran-2-one has a molecular weight of 166.22 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-3,4-dihydropyran-2-one is sourced from PubChem (CID 69043480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).