[6-(2-iminoethyl)-5-methylcyclohexa-1,5-dien-1-yl]methanol

C10H15NO — CID 123575259

IUPAC[6-(2-iminoethyl)-5-methylcyclohexa-1,5-dien-1-yl]methanol
SMILES[H]/N=C/CC1=C(C)CCC=C1CO
InChIInChI=1S/C10H15NO/c1-8-3-2-4-9(7-12)10(8)5-6-11/h4,6,11-12H,2-3,5,7H2,1H3/b11-6+
InChIKeyLPMLSOIRQSFKQH-IZZDOVSWSA-N
MW165.24 g/mol
LogP2.06
Rot. Bonds3

About [6-(2-iminoethyl)-5-methylcyclohexa-1,5-dien-1-yl]methanol

[6-(2-iminoethyl)-5-methylcyclohexa-1,5-dien-1-yl]methanol (PubChem CID 123575259) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is [6-(2-iminoethyl)-5-methylcyclohexa-1,5-dien-1-yl]methanol.

Molecular Properties

Compound Name[6-(2-iminoethyl)-5-methylcyclohexa-1,5-dien-1-yl]methanol
PubChem CID123575259
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name[6-(2-iminoethyl)-5-methylcyclohexa-1,5-dien-1-yl]methanol
SMILES[H]/N=C/CC1=C(C)CCC=C1CO
InChIInChI=1S/C10H15NO/c1-8-3-2-4-9(7-12)10(8)5-6-11/h4,6,11-12H,2-3,5,7H2,1H3/b11-6+
InChIKeyLPMLSOIRQSFKQH-IZZDOVSWSA-N
XLogP2.06
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E,4E)-2-ethyl-6-iminohexa-2,4-dien-1-ol
CID 118494869
(5Z,6E)-6-ethylidene-5-(2-iminoethylidene)-4-methylcyclohexa-1,3-diene-1,2-diol
CID 136594423
Ethane;4-methanimidoylcyclohexa-2,4-dien-1-ol;prop-1-ene
CID 143193804
Sodium (2-methanimidoylbenzene-3-id-1-yl)methanol
CID 155694258

Frequently Asked Questions

What is the IUPAC name of [6-(2-iminoethyl)-5-methylcyclohexa-1,5-dien-1-yl]methanol?
The IUPAC name of [6-(2-iminoethyl)-5-methylcyclohexa-1,5-dien-1-yl]methanol (CID 123575259) is [6-(2-iminoethyl)-5-methylcyclohexa-1,5-dien-1-yl]methanol.
What is the SMILES notation for [6-(2-iminoethyl)-5-methylcyclohexa-1,5-dien-1-yl]methanol?
The canonical SMILES for [6-(2-iminoethyl)-5-methylcyclohexa-1,5-dien-1-yl]methanol is [H]/N=C/CC1=C(C)CCC=C1CO.
What is the InChIKey of [6-(2-iminoethyl)-5-methylcyclohexa-1,5-dien-1-yl]methanol?
The InChIKey is LPMLSOIRQSFKQH-IZZDOVSWSA-N. The full InChI is InChI=1S/C10H15NO/c1-8-3-2-4-9(7-12)10(8)5-6-11/h4,6,11-12H,2-3,5,7H2,1H3/b11-6+.
What are the key properties of [6-(2-iminoethyl)-5-methylcyclohexa-1,5-dien-1-yl]methanol?
[6-(2-iminoethyl)-5-methylcyclohexa-1,5-dien-1-yl]methanol has a molecular weight of 165.24 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-iminoethyl)-5-methylcyclohexa-1,5-dien-1-yl]methanol is sourced from PubChem (CID 123575259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).