6-cyclopentyliminocyclohexa-2,4-dien-1-one

C11H13NO — CID 134385694

IUPAC6-cyclopentyliminocyclohexa-2,4-dien-1-one
SMILESO=C1C=CC=C/C1=N\C1CCCC1
InChIInChI=1S/C11H13NO/c13-11-8-4-3-7-10(11)12-9-5-1-2-6-9/h3-4,7-9H,1-2,5-6H2/b12-10+
InChIKeyRHFBMGUFQAXIHK-ZRDIBKRKSA-N
MW175.23 g/mol
LogP2.07
Rot. Bonds1

About 6-cyclopentyliminocyclohexa-2,4-dien-1-one

6-cyclopentyliminocyclohexa-2,4-dien-1-one (PubChem CID 134385694) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 6-cyclopentyliminocyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name6-cyclopentyliminocyclohexa-2,4-dien-1-one
PubChem CID134385694
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name6-cyclopentyliminocyclohexa-2,4-dien-1-one
SMILESO=C1C=CC=C/C1=N\C1CCCC1
InChIInChI=1S/C11H13NO/c13-11-8-4-3-7-10(11)12-9-5-1-2-6-9/h3-4,7-9H,1-2,5-6H2/b12-10+
InChIKeyRHFBMGUFQAXIHK-ZRDIBKRKSA-N
XLogP2.07
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'chinone_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyliminocyclohexa-2,4-dien-1-one?
The IUPAC name of 6-cyclopentyliminocyclohexa-2,4-dien-1-one (CID 134385694) is 6-cyclopentyliminocyclohexa-2,4-dien-1-one.
What is the SMILES notation for 6-cyclopentyliminocyclohexa-2,4-dien-1-one?
The canonical SMILES for 6-cyclopentyliminocyclohexa-2,4-dien-1-one is O=C1C=CC=C/C1=N\C1CCCC1.
What is the InChIKey of 6-cyclopentyliminocyclohexa-2,4-dien-1-one?
The InChIKey is RHFBMGUFQAXIHK-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H13NO/c13-11-8-4-3-7-10(11)12-9-5-1-2-6-9/h3-4,7-9H,1-2,5-6H2/b12-10+.
What are the key properties of 6-cyclopentyliminocyclohexa-2,4-dien-1-one?
6-cyclopentyliminocyclohexa-2,4-dien-1-one has a molecular weight of 175.23 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyliminocyclohexa-2,4-dien-1-one is sourced from PubChem (CID 134385694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).