(3-amino-4-methylcyclohexa-2,4-dien-1-yl)methanol

C8H13NO — CID 67737845

IUPAC(3-amino-4-methylcyclohexa-2,4-dien-1-yl)methanol
SMILESCC1=CCC(CO)C=C1N
InChIInChI=1S/C8H13NO/c1-6-2-3-7(5-10)4-8(6)9/h2,4,7,10H,3,5,9H2,1H3
InChIKeyZCWHRDZRFFQSMO-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.79
Rot. Bonds1

About (3-amino-4-methylcyclohexa-2,4-dien-1-yl)methanol

(3-amino-4-methylcyclohexa-2,4-dien-1-yl)methanol (PubChem CID 67737845) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (3-amino-4-methylcyclohexa-2,4-dien-1-yl)methanol.

Molecular Properties

Compound Name(3-amino-4-methylcyclohexa-2,4-dien-1-yl)methanol
PubChem CID67737845
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(3-amino-4-methylcyclohexa-2,4-dien-1-yl)methanol
SMILESCC1=CCC(CO)C=C1N
InChIInChI=1S/C8H13NO/c1-6-2-3-7(5-10)4-8(6)9/h2,4,7,10H,3,5,9H2,1H3
InChIKeyZCWHRDZRFFQSMO-UHFFFAOYSA-N
XLogP0.79
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-amino-4-methylcyclohexa-2,4-dien-1-yl)methanol?
The IUPAC name of (3-amino-4-methylcyclohexa-2,4-dien-1-yl)methanol (CID 67737845) is (3-amino-4-methylcyclohexa-2,4-dien-1-yl)methanol.
What is the SMILES notation for (3-amino-4-methylcyclohexa-2,4-dien-1-yl)methanol?
The canonical SMILES for (3-amino-4-methylcyclohexa-2,4-dien-1-yl)methanol is CC1=CCC(CO)C=C1N.
What is the InChIKey of (3-amino-4-methylcyclohexa-2,4-dien-1-yl)methanol?
The InChIKey is ZCWHRDZRFFQSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-6-2-3-7(5-10)4-8(6)9/h2,4,7,10H,3,5,9H2,1H3.
What are the key properties of (3-amino-4-methylcyclohexa-2,4-dien-1-yl)methanol?
(3-amino-4-methylcyclohexa-2,4-dien-1-yl)methanol has a molecular weight of 139.20 g/mol, XLogP of 0.79, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-methylcyclohexa-2,4-dien-1-yl)methanol is sourced from PubChem (CID 67737845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).