6-[(dipropylamino)methylidene]cyclohexa-1,3-diene-1,2-diol

C13H21NO2 — CID 87695405

IUPAC6-[(dipropylamino)methylidene]cyclohexa-1,3-diene-1,2-diol
SMILESCCCN(C=C1CC=CC(O)=C1O)CCC
InChIInChI=1S/C13H21NO2/c1-3-8-14(9-4-2)10-11-6-5-7-12(15)13(11)16/h5,7,10,15-16H,3-4,6,8-9H2,1-2H3
InChIKeyZYKWFNOSQDDNIE-UHFFFAOYSA-N
MW223.32 g/mol
LogP3.28
Rot. Bonds5

About 6-[(dipropylamino)methylidene]cyclohexa-1,3-diene-1,2-diol

6-[(dipropylamino)methylidene]cyclohexa-1,3-diene-1,2-diol (PubChem CID 87695405) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 6-[(dipropylamino)methylidene]cyclohexa-1,3-diene-1,2-diol.

Molecular Properties

Compound Name6-[(dipropylamino)methylidene]cyclohexa-1,3-diene-1,2-diol
PubChem CID87695405
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name6-[(dipropylamino)methylidene]cyclohexa-1,3-diene-1,2-diol
SMILESCCCN(C=C1CC=CC(O)=C1O)CCC
InChIInChI=1S/C13H21NO2/c1-3-8-14(9-4-2)10-11-6-5-7-12(15)13(11)16/h5,7,10,15-16H,3-4,6,8-9H2,1-2H3
InChIKeyZYKWFNOSQDDNIE-UHFFFAOYSA-N
XLogP3.28
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-[(dipropylamino)methylidene]cyclohexa-1,3-diene-1,2-diol 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 6-[(dipropylamino)methylidene]cyclohexa-1,3-diene-1,2-diol?
The IUPAC name of 6-[(dipropylamino)methylidene]cyclohexa-1,3-diene-1,2-diol (CID 87695405) is 6-[(dipropylamino)methylidene]cyclohexa-1,3-diene-1,2-diol.
What is the SMILES notation for 6-[(dipropylamino)methylidene]cyclohexa-1,3-diene-1,2-diol?
The canonical SMILES for 6-[(dipropylamino)methylidene]cyclohexa-1,3-diene-1,2-diol is CCCN(C=C1CC=CC(O)=C1O)CCC.
What is the InChIKey of 6-[(dipropylamino)methylidene]cyclohexa-1,3-diene-1,2-diol?
The InChIKey is ZYKWFNOSQDDNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-3-8-14(9-4-2)10-11-6-5-7-12(15)13(11)16/h5,7,10,15-16H,3-4,6,8-9H2,1-2H3.
What are the key properties of 6-[(dipropylamino)methylidene]cyclohexa-1,3-diene-1,2-diol?
6-[(dipropylamino)methylidene]cyclohexa-1,3-diene-1,2-diol has a molecular weight of 223.32 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(dipropylamino)methylidene]cyclohexa-1,3-diene-1,2-diol is sourced from PubChem (CID 87695405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).