(2E)-2-propylidenecyclopentan-1-one

C8H12O — CID 6365435

IUPAC(2E)-2-propylidenecyclopentan-1-one
SMILESCC/C=C1\CCCC1=O
InChIInChI=1S/C8H12O/c1-2-4-7-5-3-6-8(7)9/h4H,2-3,5-6H2,1H3/b7-4+
InChIKeyRBBXMNMQOGQFMV-QPJJXVBHSA-N
MW124.18 g/mol
LogP2.08
Rot. Bonds1

About (2E)-2-propylidenecyclopentan-1-one

(2E)-2-propylidenecyclopentan-1-one (PubChem CID 6365435) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is (2E)-2-propylidenecyclopentan-1-one.

Molecular Properties

Compound Name(2E)-2-propylidenecyclopentan-1-one
PubChem CID6365435
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name(2E)-2-propylidenecyclopentan-1-one
SMILESCC/C=C1\CCCC1=O
InChIInChI=1S/C8H12O/c1-2-4-7-5-3-6-8(7)9/h4H,2-3,5-6H2,1H3/b7-4+
InChIKeyRBBXMNMQOGQFMV-QPJJXVBHSA-N
XLogP2.08
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Methyl-2-cyclopenten-1-one
CID 17691
2-Octen-4-one
CID 5365891
2-Hexylidenecyclopentanone
CID 6385721
2,5-Cyclohexadiene-1,4-dione, 2,3,5-trimethyl-
CID 70291
2-Methyl-2-cyclopenten-1-one
CID 14266
2,6-Dimethyl-1,4-benzoquinone
CID 68241
3-Hepten-2-one, 3-methyl-
CID 5364798
2-Cyclohexen-1-one, 2-methyl-
CID 136887
Cyclopentanone, 2-heptylidene-
CID 6441035
Ipsdienone
CID 6430826
Methylenomycin B
CID 3040648
1-Acetyl-4-isopropylidene-cyclopentene
CID 240188

Frequently Asked Questions

What is the IUPAC name of (2E)-2-propylidenecyclopentan-1-one?
The IUPAC name of (2E)-2-propylidenecyclopentan-1-one (CID 6365435) is (2E)-2-propylidenecyclopentan-1-one.
What is the SMILES notation for (2E)-2-propylidenecyclopentan-1-one?
The canonical SMILES for (2E)-2-propylidenecyclopentan-1-one is CC/C=C1\CCCC1=O.
What is the InChIKey of (2E)-2-propylidenecyclopentan-1-one?
The InChIKey is RBBXMNMQOGQFMV-QPJJXVBHSA-N. The full InChI is InChI=1S/C8H12O/c1-2-4-7-5-3-6-8(7)9/h4H,2-3,5-6H2,1H3/b7-4+.
What are the key properties of (2E)-2-propylidenecyclopentan-1-one?
(2E)-2-propylidenecyclopentan-1-one has a molecular weight of 124.18 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-propylidenecyclopentan-1-one is sourced from PubChem (CID 6365435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).