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

C7H11NO — CID 19762736

IUPAC6-amino-6-methylcyclohexa-2,4-dien-1-ol
SMILESCC1(N)C=CC=CC1O
InChIInChI=1S/C7H11NO/c1-7(8)5-3-2-4-6(7)9/h2-6,9H,8H2,1H3
InChIKeyOFYZSXCCMHLAMU-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.19
Rot. Bonds

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

6-amino-6-methylcyclohexa-2,4-dien-1-ol (PubChem CID 19762736) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 6-amino-6-methylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name6-amino-6-methylcyclohexa-2,4-dien-1-ol
PubChem CID19762736
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name6-amino-6-methylcyclohexa-2,4-dien-1-ol
SMILESCC1(N)C=CC=CC1O
InChIInChI=1S/C7H11NO/c1-7(8)5-3-2-4-6(7)9/h2-6,9H,8H2,1H3
InChIKeyOFYZSXCCMHLAMU-UHFFFAOYSA-N
XLogP0.19
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-amino-6-methylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 6-amino-6-methylcyclohexa-2,4-dien-1-ol (CID 19762736) is 6-amino-6-methylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 6-amino-6-methylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 6-amino-6-methylcyclohexa-2,4-dien-1-ol is CC1(N)C=CC=CC1O.
What is the InChIKey of 6-amino-6-methylcyclohexa-2,4-dien-1-ol?
The InChIKey is OFYZSXCCMHLAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-7(8)5-3-2-4-6(7)9/h2-6,9H,8H2,1H3.
What are the key properties of 6-amino-6-methylcyclohexa-2,4-dien-1-ol?
6-amino-6-methylcyclohexa-2,4-dien-1-ol has a molecular weight of 125.17 g/mol, XLogP of 0.19, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-6-methylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 19762736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).