7-amino-4-methylcyclohepta-1,3,6-trien-1-ol

C8H11NO — CID 142096049

IUPAC7-amino-4-methylcyclohepta-1,3,6-trien-1-ol
SMILESCC1=CC=C(O)C(N)=CC1
InChIInChI=1S/C8H11NO/c1-6-2-4-7(9)8(10)5-3-6/h3-5,10H,2,9H2,1H3
InChIKeyAWURAIHVUCTYRV-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.62
Rot. Bonds

About 7-amino-4-methylcyclohepta-1,3,6-trien-1-ol

7-amino-4-methylcyclohepta-1,3,6-trien-1-ol (PubChem CID 142096049) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 7-amino-4-methylcyclohepta-1,3,6-trien-1-ol.

Molecular Properties

Compound Name7-amino-4-methylcyclohepta-1,3,6-trien-1-ol
PubChem CID142096049
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name7-amino-4-methylcyclohepta-1,3,6-trien-1-ol
SMILESCC1=CC=C(O)C(N)=CC1
InChIInChI=1S/C8H11NO/c1-6-2-4-7(9)8(10)5-3-6/h3-5,10H,2,9H2,1H3
InChIKeyAWURAIHVUCTYRV-UHFFFAOYSA-N
XLogP1.62
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-amino-4-methylcyclohepta-1,3,6-trien-1-ol?
The IUPAC name of 7-amino-4-methylcyclohepta-1,3,6-trien-1-ol (CID 142096049) is 7-amino-4-methylcyclohepta-1,3,6-trien-1-ol.
What is the SMILES notation for 7-amino-4-methylcyclohepta-1,3,6-trien-1-ol?
The canonical SMILES for 7-amino-4-methylcyclohepta-1,3,6-trien-1-ol is CC1=CC=C(O)C(N)=CC1.
What is the InChIKey of 7-amino-4-methylcyclohepta-1,3,6-trien-1-ol?
The InChIKey is AWURAIHVUCTYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-6-2-4-7(9)8(10)5-3-6/h3-5,10H,2,9H2,1H3.
What are the key properties of 7-amino-4-methylcyclohepta-1,3,6-trien-1-ol?
7-amino-4-methylcyclohepta-1,3,6-trien-1-ol has a molecular weight of 137.18 g/mol, XLogP of 1.62, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-4-methylcyclohepta-1,3,6-trien-1-ol is sourced from PubChem (CID 142096049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).