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

C7H11NO — CID 129115171

IUPAC4-amino-3-methylcyclohexa-1,5-dien-1-ol
SMILESCC1C=C(O)C=CC1N
InChIInChI=1S/C7H11NO/c1-5-4-6(9)2-3-7(5)8/h2-5,7,9H,8H2,1H3
InChIKeyNWVYJKIAZOFLKO-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.96
Rot. Bonds

About 4-amino-3-methylcyclohexa-1,5-dien-1-ol

4-amino-3-methylcyclohexa-1,5-dien-1-ol (PubChem CID 129115171) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 4-amino-3-methylcyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name4-amino-3-methylcyclohexa-1,5-dien-1-ol
PubChem CID129115171
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name4-amino-3-methylcyclohexa-1,5-dien-1-ol
SMILESCC1C=C(O)C=CC1N
InChIInChI=1S/C7H11NO/c1-5-4-6(9)2-3-7(5)8/h2-5,7,9H,8H2,1H3
InChIKeyNWVYJKIAZOFLKO-UHFFFAOYSA-N
XLogP0.96
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 ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methylcyclohexa-1,5-dien-1-ol?
The IUPAC name of 4-amino-3-methylcyclohexa-1,5-dien-1-ol (CID 129115171) is 4-amino-3-methylcyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 4-amino-3-methylcyclohexa-1,5-dien-1-ol?
The canonical SMILES for 4-amino-3-methylcyclohexa-1,5-dien-1-ol is CC1C=C(O)C=CC1N.
What is the InChIKey of 4-amino-3-methylcyclohexa-1,5-dien-1-ol?
The InChIKey is NWVYJKIAZOFLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-5-4-6(9)2-3-7(5)8/h2-5,7,9H,8H2,1H3.
What are the key properties of 4-amino-3-methylcyclohexa-1,5-dien-1-ol?
4-amino-3-methylcyclohexa-1,5-dien-1-ol has a molecular weight of 125.17 g/mol, XLogP of 0.96, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methylcyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 129115171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).