3-cyclopentyliminoprop-1-en-1-one

C8H11NO — CID 13170651

IUPAC3-cyclopentyliminoprop-1-en-1-one
SMILESO=C=C/C=N/C1CCCC1
InChIInChI=1S/C8H11NO/c10-7-3-6-9-8-4-1-2-5-8/h3,6,8H,1-2,4-5H2/b9-6+
InChIKeyPAFFNLHJAQLEAQ-RMKNXTFCSA-N
MW137.18 g/mol
LogP1.39
Rot. Bonds2

About 3-cyclopentyliminoprop-1-en-1-one

3-cyclopentyliminoprop-1-en-1-one (PubChem CID 13170651) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 3-cyclopentyliminoprop-1-en-1-one.

Molecular Properties

Compound Name3-cyclopentyliminoprop-1-en-1-one
PubChem CID13170651
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name3-cyclopentyliminoprop-1-en-1-one
SMILESO=C=C/C=N/C1CCCC1
InChIInChI=1S/C8H11NO/c10-7-3-6-9-8-4-1-2-5-8/h3,6,8H,1-2,4-5H2/b9-6+
InChIKeyPAFFNLHJAQLEAQ-RMKNXTFCSA-N
XLogP1.39
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'ketene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyliminoprop-1-en-1-one?
The IUPAC name of 3-cyclopentyliminoprop-1-en-1-one (CID 13170651) is 3-cyclopentyliminoprop-1-en-1-one.
What is the SMILES notation for 3-cyclopentyliminoprop-1-en-1-one?
The canonical SMILES for 3-cyclopentyliminoprop-1-en-1-one is O=C=C/C=N/C1CCCC1.
What is the InChIKey of 3-cyclopentyliminoprop-1-en-1-one?
The InChIKey is PAFFNLHJAQLEAQ-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H11NO/c10-7-3-6-9-8-4-1-2-5-8/h3,6,8H,1-2,4-5H2/b9-6+.
What are the key properties of 3-cyclopentyliminoprop-1-en-1-one?
3-cyclopentyliminoprop-1-en-1-one has a molecular weight of 137.18 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyliminoprop-1-en-1-one is sourced from PubChem (CID 13170651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).