amino(cyclohexa-1,5-dien-1-yl)methanol

C7H11NO — CID 90430883

IUPACamino(cyclohexa-1,5-dien-1-yl)methanol
SMILESNC(O)C1=CCCC=C1
InChIInChI=1S/C7H11NO/c8-7(9)6-4-2-1-3-5-6/h2,4-5,7,9H,1,3,8H2
InChIKeySCPNUUQIXIFBGB-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.54
Rot. Bonds1

About amino(cyclohexa-1,5-dien-1-yl)methanol

amino(cyclohexa-1,5-dien-1-yl)methanol (PubChem CID 90430883) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is amino(cyclohexa-1,5-dien-1-yl)methanol.

Molecular Properties

Compound Nameamino(cyclohexa-1,5-dien-1-yl)methanol
PubChem CID90430883
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Nameamino(cyclohexa-1,5-dien-1-yl)methanol
SMILESNC(O)C1=CCCC=C1
InChIInChI=1S/C7H11NO/c8-7(9)6-4-2-1-3-5-6/h2,4-5,7,9H,1,3,8H2
InChIKeySCPNUUQIXIFBGB-UHFFFAOYSA-N
XLogP0.54
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze amino(cyclohexa-1,5-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 amino(cyclohexa-1,5-dien-1-yl)methanol?
The IUPAC name of amino(cyclohexa-1,5-dien-1-yl)methanol (CID 90430883) is amino(cyclohexa-1,5-dien-1-yl)methanol.
What is the SMILES notation for amino(cyclohexa-1,5-dien-1-yl)methanol?
The canonical SMILES for amino(cyclohexa-1,5-dien-1-yl)methanol is NC(O)C1=CCCC=C1.
What is the InChIKey of amino(cyclohexa-1,5-dien-1-yl)methanol?
The InChIKey is SCPNUUQIXIFBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c8-7(9)6-4-2-1-3-5-6/h2,4-5,7,9H,1,3,8H2.
What are the key properties of amino(cyclohexa-1,5-dien-1-yl)methanol?
amino(cyclohexa-1,5-dien-1-yl)methanol has a molecular weight of 125.17 g/mol, XLogP of 0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for amino(cyclohexa-1,5-dien-1-yl)methanol is sourced from PubChem (CID 90430883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).