(3-amino-3-methylcyclohepta-1,4,6-trien-1-yl)methanol

C9H13NO — CID 143579274

IUPAC(3-amino-3-methylcyclohepta-1,4,6-trien-1-yl)methanol
SMILESCC1(N)C=CC=CC(CO)=C1
InChIInChI=1S/C9H13NO/c1-9(10)5-3-2-4-8(6-9)7-11/h2-6,11H,7,10H2,1H3
InChIKeyUUAAZQBUJXNMFU-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.75
Rot. Bonds1

About (3-amino-3-methylcyclohepta-1,4,6-trien-1-yl)methanol

(3-amino-3-methylcyclohepta-1,4,6-trien-1-yl)methanol (PubChem CID 143579274) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is (3-amino-3-methylcyclohepta-1,4,6-trien-1-yl)methanol.

Molecular Properties

Compound Name(3-amino-3-methylcyclohepta-1,4,6-trien-1-yl)methanol
PubChem CID143579274
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name(3-amino-3-methylcyclohepta-1,4,6-trien-1-yl)methanol
SMILESCC1(N)C=CC=CC(CO)=C1
InChIInChI=1S/C9H13NO/c1-9(10)5-3-2-4-8(6-9)7-11/h2-6,11H,7,10H2,1H3
InChIKeyUUAAZQBUJXNMFU-UHFFFAOYSA-N
XLogP0.75
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-amino-3-methylcyclohepta-1,4,6-trien-1-yl)methanol?
The IUPAC name of (3-amino-3-methylcyclohepta-1,4,6-trien-1-yl)methanol (CID 143579274) is (3-amino-3-methylcyclohepta-1,4,6-trien-1-yl)methanol.
What is the SMILES notation for (3-amino-3-methylcyclohepta-1,4,6-trien-1-yl)methanol?
The canonical SMILES for (3-amino-3-methylcyclohepta-1,4,6-trien-1-yl)methanol is CC1(N)C=CC=CC(CO)=C1.
What is the InChIKey of (3-amino-3-methylcyclohepta-1,4,6-trien-1-yl)methanol?
The InChIKey is UUAAZQBUJXNMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-9(10)5-3-2-4-8(6-9)7-11/h2-6,11H,7,10H2,1H3.
What are the key properties of (3-amino-3-methylcyclohepta-1,4,6-trien-1-yl)methanol?
(3-amino-3-methylcyclohepta-1,4,6-trien-1-yl)methanol has a molecular weight of 151.21 g/mol, XLogP of 0.75, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-3-methylcyclohepta-1,4,6-trien-1-yl)methanol is sourced from PubChem (CID 143579274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).