6-butyliminocyclohexa-2,4-dien-1-ol

C10H15NO — CID 141226253

IUPAC6-butyliminocyclohexa-2,4-dien-1-ol
SMILESCCCC/N=C1\C=CC=CC1O
InChIInChI=1S/C10H15NO/c1-2-3-8-11-9-6-4-5-7-10(9)12/h4-7,10,12H,2-3,8H2,1H3/b11-9+
InChIKeySKOZOLFZCMWBLQ-PKNBQFBNSA-N
MW165.24 g/mol
LogP1.71
Rot. Bonds3

About 6-butyliminocyclohexa-2,4-dien-1-ol

6-butyliminocyclohexa-2,4-dien-1-ol (PubChem CID 141226253) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 6-butyliminocyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name6-butyliminocyclohexa-2,4-dien-1-ol
PubChem CID141226253
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name6-butyliminocyclohexa-2,4-dien-1-ol
SMILESCCCC/N=C1\C=CC=CC1O
InChIInChI=1S/C10H15NO/c1-2-3-8-11-9-6-4-5-7-10(9)12/h4-7,10,12H,2-3,8H2,1H3/b11-9+
InChIKeySKOZOLFZCMWBLQ-PKNBQFBNSA-N
XLogP1.71
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-butyliminocyclohexa-2,4-dien-1-ol?
The IUPAC name of 6-butyliminocyclohexa-2,4-dien-1-ol (CID 141226253) is 6-butyliminocyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 6-butyliminocyclohexa-2,4-dien-1-ol?
The canonical SMILES for 6-butyliminocyclohexa-2,4-dien-1-ol is CCCC/N=C1\C=CC=CC1O.
What is the InChIKey of 6-butyliminocyclohexa-2,4-dien-1-ol?
The InChIKey is SKOZOLFZCMWBLQ-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H15NO/c1-2-3-8-11-9-6-4-5-7-10(9)12/h4-7,10,12H,2-3,8H2,1H3/b11-9+.
What are the key properties of 6-butyliminocyclohexa-2,4-dien-1-ol?
6-butyliminocyclohexa-2,4-dien-1-ol has a molecular weight of 165.24 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyliminocyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 141226253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).