2-amino-3-methylcyclohexa-1,3-dien-1-ol

C7H11NO — CID 58436629

IUPAC2-amino-3-methylcyclohexa-1,3-dien-1-ol
SMILESCC1=CCCC(O)=C1N
InChIInChI=1S/C7H11NO/c1-5-3-2-4-6(9)7(5)8/h3,9H,2,4,8H2,1H3
InChIKeyWGAKNYCUGQRPCS-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.45
Rot. Bonds

About 2-amino-3-methylcyclohexa-1,3-dien-1-ol

2-amino-3-methylcyclohexa-1,3-dien-1-ol (PubChem CID 58436629) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 2-amino-3-methylcyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name2-amino-3-methylcyclohexa-1,3-dien-1-ol
PubChem CID58436629
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name2-amino-3-methylcyclohexa-1,3-dien-1-ol
SMILESCC1=CCCC(O)=C1N
InChIInChI=1S/C7H11NO/c1-5-3-2-4-6(9)7(5)8/h3,9H,2,4,8H2,1H3
InChIKeyWGAKNYCUGQRPCS-UHFFFAOYSA-N
XLogP1.45
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 ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-Amino-4-fluorocyclohexa-1,3-dien-1-ol
CID 88978454
3-Aminocyclohexa-1,3-dien-1-ol
CID 22164043
3-Amino-6-methylidenecyclohexa-1,3-dien-1-ol
CID 70526466
4-Amino-2-methylcyclohexa-1,3-dien-1-ol
CID 89152195
2-Amino-4-methylcyclohexa-1,3-dien-1-ol
CID 129059864
(2E,4E)-5-amino-4-methylhexa-2,4-dien-2-ol
CID 129145728
2-Aminocyclohexa-1,3-dien-1-ol
CID 142171538
3-Amino-4-methylcyclohexa-1,3-dien-1-ol
CID 142602037
3,4-Diaminocyclohexa-1,3-dien-1-ol
CID 143092941
(2Z)-3-amino-4-methylpenta-2,4-dien-2-ol
CID 143962844
(Z)-3-amino-4-methylidenehex-2-en-2-ol
CID 143962853
(2Z,4Z)-3-amino-4-methylhepta-2,4-dien-2-ol
CID 144639004

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methylcyclohexa-1,3-dien-1-ol?
The IUPAC name of 2-amino-3-methylcyclohexa-1,3-dien-1-ol (CID 58436629) is 2-amino-3-methylcyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 2-amino-3-methylcyclohexa-1,3-dien-1-ol?
The canonical SMILES for 2-amino-3-methylcyclohexa-1,3-dien-1-ol is CC1=CCCC(O)=C1N.
What is the InChIKey of 2-amino-3-methylcyclohexa-1,3-dien-1-ol?
The InChIKey is WGAKNYCUGQRPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-5-3-2-4-6(9)7(5)8/h3,9H,2,4,8H2,1H3.
What are the key properties of 2-amino-3-methylcyclohexa-1,3-dien-1-ol?
2-amino-3-methylcyclohexa-1,3-dien-1-ol has a molecular weight of 125.17 g/mol, XLogP of 1.45, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methylcyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 58436629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).