(6-methyl-4-methyliminocyclohepta-2,5-dien-1-yl)methanol

C10H15NO — CID 90816798

IUPAC(6-methyl-4-methyliminocyclohepta-2,5-dien-1-yl)methanol
SMILESC/N=C1\C=CC(CO)CC(C)=C1
InChIInChI=1S/C10H15NO/c1-8-5-9(7-12)3-4-10(6-8)11-2/h3-4,6,9,12H,5,7H2,1-2H3/b11-10+
InChIKeyYTPTWHBYEVJXNG-ZHACJKMWSA-N
MW165.24 g/mol
LogP1.57
Rot. Bonds1

About (6-methyl-4-methyliminocyclohepta-2,5-dien-1-yl)methanol

(6-methyl-4-methyliminocyclohepta-2,5-dien-1-yl)methanol (PubChem CID 90816798) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (6-methyl-4-methyliminocyclohepta-2,5-dien-1-yl)methanol.

Molecular Properties

Compound Name(6-methyl-4-methyliminocyclohepta-2,5-dien-1-yl)methanol
PubChem CID90816798
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(6-methyl-4-methyliminocyclohepta-2,5-dien-1-yl)methanol
SMILESC/N=C1\C=CC(CO)CC(C)=C1
InChIInChI=1S/C10H15NO/c1-8-5-9(7-12)3-4-10(6-8)11-2/h3-4,6,9,12H,5,7H2,1-2H3/b11-10+
InChIKeyYTPTWHBYEVJXNG-ZHACJKMWSA-N
XLogP1.57
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6-methyl-4-methyliminocyclohepta-2,5-dien-1-yl)methanol?
The IUPAC name of (6-methyl-4-methyliminocyclohepta-2,5-dien-1-yl)methanol (CID 90816798) is (6-methyl-4-methyliminocyclohepta-2,5-dien-1-yl)methanol.
What is the SMILES notation for (6-methyl-4-methyliminocyclohepta-2,5-dien-1-yl)methanol?
The canonical SMILES for (6-methyl-4-methyliminocyclohepta-2,5-dien-1-yl)methanol is C/N=C1\C=CC(CO)CC(C)=C1.
What is the InChIKey of (6-methyl-4-methyliminocyclohepta-2,5-dien-1-yl)methanol?
The InChIKey is YTPTWHBYEVJXNG-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H15NO/c1-8-5-9(7-12)3-4-10(6-8)11-2/h3-4,6,9,12H,5,7H2,1-2H3/b11-10+.
What are the key properties of (6-methyl-4-methyliminocyclohepta-2,5-dien-1-yl)methanol?
(6-methyl-4-methyliminocyclohepta-2,5-dien-1-yl)methanol has a molecular weight of 165.24 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-4-methyliminocyclohepta-2,5-dien-1-yl)methanol is sourced from PubChem (CID 90816798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).