6-amino-3-methylcyclohexa-1,5-dien-1-ol

C7H11NO — CID 89058605

IUPAC6-amino-3-methylcyclohexa-1,5-dien-1-ol
SMILESCC1C=C(O)C(N)=CC1
InChIInChI=1S/C7H11NO/c1-5-2-3-6(8)7(9)4-5/h3-5,9H,2,8H2,1H3
InChIKeyDDXYMJDFCMMZOV-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.31
Rot. Bonds

About 6-amino-3-methylcyclohexa-1,5-dien-1-ol

6-amino-3-methylcyclohexa-1,5-dien-1-ol (PubChem CID 89058605) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 6-amino-3-methylcyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name6-amino-3-methylcyclohexa-1,5-dien-1-ol
PubChem CID89058605
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name6-amino-3-methylcyclohexa-1,5-dien-1-ol
SMILESCC1C=C(O)C(N)=CC1
InChIInChI=1S/C7H11NO/c1-5-2-3-6(8)7(9)4-5/h3-5,9H,2,8H2,1H3
InChIKeyDDXYMJDFCMMZOV-UHFFFAOYSA-N
XLogP1.31
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 ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-methylcyclohexa-1,5-dien-1-ol?
The IUPAC name of 6-amino-3-methylcyclohexa-1,5-dien-1-ol (CID 89058605) is 6-amino-3-methylcyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 6-amino-3-methylcyclohexa-1,5-dien-1-ol?
The canonical SMILES for 6-amino-3-methylcyclohexa-1,5-dien-1-ol is CC1C=C(O)C(N)=CC1.
What is the InChIKey of 6-amino-3-methylcyclohexa-1,5-dien-1-ol?
The InChIKey is DDXYMJDFCMMZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-5-2-3-6(8)7(9)4-5/h3-5,9H,2,8H2,1H3.
What are the key properties of 6-amino-3-methylcyclohexa-1,5-dien-1-ol?
6-amino-3-methylcyclohexa-1,5-dien-1-ol has a molecular weight of 125.17 g/mol, XLogP of 1.31, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-methylcyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 89058605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).