[4-(methylamino)cyclohexa-1,3-dien-1-yl]methanol

C8H13NO — CID 121327599

IUPAC[4-(methylamino)cyclohexa-1,3-dien-1-yl]methanol
SMILESCNC1=CC=C(CO)CC1
InChIInChI=1S/C8H13NO/c1-9-8-4-2-7(6-10)3-5-8/h2,4,9-10H,3,5-6H2,1H3
InChIKeySZTNSJWROBDKRM-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.80
Rot. Bonds2

About [4-(methylamino)cyclohexa-1,3-dien-1-yl]methanol

[4-(methylamino)cyclohexa-1,3-dien-1-yl]methanol (PubChem CID 121327599) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is [4-(methylamino)cyclohexa-1,3-dien-1-yl]methanol.

Molecular Properties

Compound Name[4-(methylamino)cyclohexa-1,3-dien-1-yl]methanol
PubChem CID121327599
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name[4-(methylamino)cyclohexa-1,3-dien-1-yl]methanol
SMILESCNC1=CC=C(CO)CC1
InChIInChI=1S/C8H13NO/c1-9-8-4-2-7(6-10)3-5-8/h2,4,9-10H,3,5-6H2,1H3
InChIKeySZTNSJWROBDKRM-UHFFFAOYSA-N
XLogP0.80
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [4-(methylamino)cyclohexa-1,3-dien-1-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(methylamino)cyclohexa-1,3-dien-1-yl]methanol?
The IUPAC name of [4-(methylamino)cyclohexa-1,3-dien-1-yl]methanol (CID 121327599) is [4-(methylamino)cyclohexa-1,3-dien-1-yl]methanol.
What is the SMILES notation for [4-(methylamino)cyclohexa-1,3-dien-1-yl]methanol?
The canonical SMILES for [4-(methylamino)cyclohexa-1,3-dien-1-yl]methanol is CNC1=CC=C(CO)CC1.
What is the InChIKey of [4-(methylamino)cyclohexa-1,3-dien-1-yl]methanol?
The InChIKey is SZTNSJWROBDKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-9-8-4-2-7(6-10)3-5-8/h2,4,9-10H,3,5-6H2,1H3.
What are the key properties of [4-(methylamino)cyclohexa-1,3-dien-1-yl]methanol?
[4-(methylamino)cyclohexa-1,3-dien-1-yl]methanol has a molecular weight of 139.20 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylamino)cyclohexa-1,3-dien-1-yl]methanol is sourced from PubChem (CID 121327599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).