1-Amino-6-methylcyclohexa-2,4-dien-1-ol

C7H11NO — CID 23047997

IUPAC1-amino-6-methylcyclohexa-2,4-dien-1-ol
SMILESCC1C=CC=CC1(N)O
InChIInChI=1S/C7H11NO/c1-6-4-2-3-5-7(6,8)9/h2-6,9H,8H2,1H3
InChIKeySOKBKSSWCLGPQB-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.40
Rot. Bonds

About 1-Amino-6-methylcyclohexa-2,4-dien-1-ol

1-Amino-6-methylcyclohexa-2,4-dien-1-ol (PubChem CID 23047997) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 1-amino-6-methylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name1-Amino-6-methylcyclohexa-2,4-dien-1-ol
PubChem CID23047997
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name1-amino-6-methylcyclohexa-2,4-dien-1-ol
SMILESCC1C=CC=CC1(N)O
InChIInChI=1S/C7H11NO/c1-6-4-2-3-5-7(6,8)9/h2-6,9H,8H2,1H3
InChIKeySOKBKSSWCLGPQB-UHFFFAOYSA-N
XLogP0.40
TPSA46.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity162

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-Amino-6-methylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 1-Amino-6-methylcyclohexa-2,4-dien-1-ol (CID 23047997) is 1-amino-6-methylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 1-Amino-6-methylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 1-Amino-6-methylcyclohexa-2,4-dien-1-ol is CC1C=CC=CC1(N)O.
What is the InChIKey of 1-Amino-6-methylcyclohexa-2,4-dien-1-ol?
The InChIKey is SOKBKSSWCLGPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-6-4-2-3-5-7(6,8)9/h2-6,9H,8H2,1H3.
What are the key properties of 1-Amino-6-methylcyclohexa-2,4-dien-1-ol?
1-Amino-6-methylcyclohexa-2,4-dien-1-ol has a molecular weight of 125.17 g/mol, XLogP of 0.40, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-Amino-6-methylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 23047997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).