2-methylidene-3-[(Z)-prop-1-enyl]cyclopentan-1-one

C9H12O — CID 5384425

IUPAC2-methylidene-3-[(Z)-prop-1-enyl]cyclopentan-1-one
SMILESC=C1C(=O)CCC1/C=C\C
InChIInChI=1S/C9H12O/c1-3-4-8-5-6-9(10)7(8)2/h3-4,8H,2,5-6H2,1H3/b4-3-
InChIKeyXTWUMZCNAZBNAT-ARJAWSKDSA-N
MW136.19 g/mol
LogP2.10
Rot. Bonds1

About 2-methylidene-3-[(Z)-prop-1-enyl]cyclopentan-1-one

2-methylidene-3-[(Z)-prop-1-enyl]cyclopentan-1-one (PubChem CID 5384425) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is 2-methylidene-3-[(Z)-prop-1-enyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-methylidene-3-[(Z)-prop-1-enyl]cyclopentan-1-one
PubChem CID5384425
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Name2-methylidene-3-[(Z)-prop-1-enyl]cyclopentan-1-one
SMILESC=C1C(=O)CCC1/C=C\C
InChIInChI=1S/C9H12O/c1-3-4-8-5-6-9(10)7(8)2/h3-4,8H,2,5-6H2,1H3/b4-3-
InChIKeyXTWUMZCNAZBNAT-ARJAWSKDSA-N
XLogP2.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-3-[(Z)-prop-1-enyl]cyclopentan-1-one?
The IUPAC name of 2-methylidene-3-[(Z)-prop-1-enyl]cyclopentan-1-one (CID 5384425) is 2-methylidene-3-[(Z)-prop-1-enyl]cyclopentan-1-one.
What is the SMILES notation for 2-methylidene-3-[(Z)-prop-1-enyl]cyclopentan-1-one?
The canonical SMILES for 2-methylidene-3-[(Z)-prop-1-enyl]cyclopentan-1-one is C=C1C(=O)CCC1/C=C\C.
What is the InChIKey of 2-methylidene-3-[(Z)-prop-1-enyl]cyclopentan-1-one?
The InChIKey is XTWUMZCNAZBNAT-ARJAWSKDSA-N. The full InChI is InChI=1S/C9H12O/c1-3-4-8-5-6-9(10)7(8)2/h3-4,8H,2,5-6H2,1H3/b4-3-.
What are the key properties of 2-methylidene-3-[(Z)-prop-1-enyl]cyclopentan-1-one?
2-methylidene-3-[(Z)-prop-1-enyl]cyclopentan-1-one has a molecular weight of 136.19 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-3-[(Z)-prop-1-enyl]cyclopentan-1-one is sourced from PubChem (CID 5384425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).