(2Z)-2-heptylidenecyclopentan-1-one

C12H20O — CID 56924121

IUPAC(2Z)-2-heptylidenecyclopentan-1-one
SMILESCCCCCC/C=C1/CCCC1=O
InChIInChI=1S/C12H20O/c1-2-3-4-5-6-8-11-9-7-10-12(11)13/h8H,2-7,9-10H2,1H3/b11-8-
InChIKeyPBNMXJOZTAVFCR-FLIBITNWSA-N
MW180.29 g/mol
LogP3.64
Rot. Bonds5

About (2Z)-2-heptylidenecyclopentan-1-one

(2Z)-2-heptylidenecyclopentan-1-one (PubChem CID 56924121) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is (2Z)-2-heptylidenecyclopentan-1-one.

Molecular Properties

Compound Name(2Z)-2-heptylidenecyclopentan-1-one
PubChem CID56924121
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name(2Z)-2-heptylidenecyclopentan-1-one
SMILESCCCCCC/C=C1/CCCC1=O
InChIInChI=1S/C12H20O/c1-2-3-4-5-6-8-11-9-7-10-12(11)13/h8H,2-7,9-10H2,1H3/b11-8-
InChIKeyPBNMXJOZTAVFCR-FLIBITNWSA-N
XLogP3.64
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-heptylidenecyclopentan-1-one?
The IUPAC name of (2Z)-2-heptylidenecyclopentan-1-one (CID 56924121) is (2Z)-2-heptylidenecyclopentan-1-one.
What is the SMILES notation for (2Z)-2-heptylidenecyclopentan-1-one?
The canonical SMILES for (2Z)-2-heptylidenecyclopentan-1-one is CCCCCC/C=C1/CCCC1=O.
What is the InChIKey of (2Z)-2-heptylidenecyclopentan-1-one?
The InChIKey is PBNMXJOZTAVFCR-FLIBITNWSA-N. The full InChI is InChI=1S/C12H20O/c1-2-3-4-5-6-8-11-9-7-10-12(11)13/h8H,2-7,9-10H2,1H3/b11-8-.
What are the key properties of (2Z)-2-heptylidenecyclopentan-1-one?
(2Z)-2-heptylidenecyclopentan-1-one has a molecular weight of 180.29 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-heptylidenecyclopentan-1-one is sourced from PubChem (CID 56924121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).