5-amino-5-methylcyclohepta-1,3,6-trien-1-ol

C8H11NO — CID 126612422

IUPAC5-amino-5-methylcyclohepta-1,3,6-trien-1-ol
SMILESCC1(N)C=CC=C(O)C=C1
InChIInChI=1S/C8H11NO/c1-8(9)5-2-3-7(10)4-6-8/h2-6,10H,9H2,1H3
InChIKeyNZRPQIUSYWQLMF-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.27
Rot. Bonds

About 5-amino-5-methylcyclohepta-1,3,6-trien-1-ol

5-amino-5-methylcyclohepta-1,3,6-trien-1-ol (PubChem CID 126612422) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 5-amino-5-methylcyclohepta-1,3,6-trien-1-ol.

Molecular Properties

Compound Name5-amino-5-methylcyclohepta-1,3,6-trien-1-ol
PubChem CID126612422
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name5-amino-5-methylcyclohepta-1,3,6-trien-1-ol
SMILESCC1(N)C=CC=C(O)C=C1
InChIInChI=1S/C8H11NO/c1-8(9)5-2-3-7(10)4-6-8/h2-6,10H,9H2,1H3
InChIKeyNZRPQIUSYWQLMF-UHFFFAOYSA-N
XLogP1.27
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 ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-amino-5-methylcyclohepta-1,3,6-trien-1-ol?
The IUPAC name of 5-amino-5-methylcyclohepta-1,3,6-trien-1-ol (CID 126612422) is 5-amino-5-methylcyclohepta-1,3,6-trien-1-ol.
What is the SMILES notation for 5-amino-5-methylcyclohepta-1,3,6-trien-1-ol?
The canonical SMILES for 5-amino-5-methylcyclohepta-1,3,6-trien-1-ol is CC1(N)C=CC=C(O)C=C1.
What is the InChIKey of 5-amino-5-methylcyclohepta-1,3,6-trien-1-ol?
The InChIKey is NZRPQIUSYWQLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-8(9)5-2-3-7(10)4-6-8/h2-6,10H,9H2,1H3.
What are the key properties of 5-amino-5-methylcyclohepta-1,3,6-trien-1-ol?
5-amino-5-methylcyclohepta-1,3,6-trien-1-ol has a molecular weight of 137.18 g/mol, XLogP of 1.27, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-methylcyclohepta-1,3,6-trien-1-ol is sourced from PubChem (CID 126612422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).