6-methyl-1-pyrrolidin-1-ylhept-6-ene-1,2-diol

C12H23NO2 — CID 23045431

IUPAC6-methyl-1-pyrrolidin-1-ylhept-6-ene-1,2-diol
SMILESC=C(C)CCCC(O)C(O)N1CCCC1
InChIInChI=1S/C12H23NO2/c1-10(2)6-5-7-11(14)12(15)13-8-3-4-9-13/h11-12,14-15H,1,3-9H2,2H3
InChIKeyNPYIALMLEQYPIU-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.51
Rot. Bonds6

About 6-methyl-1-pyrrolidin-1-ylhept-6-ene-1,2-diol

6-methyl-1-pyrrolidin-1-ylhept-6-ene-1,2-diol (PubChem CID 23045431) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 6-methyl-1-pyrrolidin-1-ylhept-6-ene-1,2-diol.

Molecular Properties

Compound Name6-methyl-1-pyrrolidin-1-ylhept-6-ene-1,2-diol
PubChem CID23045431
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name6-methyl-1-pyrrolidin-1-ylhept-6-ene-1,2-diol
SMILESC=C(C)CCCC(O)C(O)N1CCCC1
InChIInChI=1S/C12H23NO2/c1-10(2)6-5-7-11(14)12(15)13-8-3-4-9-13/h11-12,14-15H,1,3-9H2,2H3
InChIKeyNPYIALMLEQYPIU-UHFFFAOYSA-N
XLogP1.51
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-methyl-1-pyrrolidin-1-ylhept-6-ene-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-methyl-1-pyrrolidin-1-ylhept-6-ene-1,2-diol?
The IUPAC name of 6-methyl-1-pyrrolidin-1-ylhept-6-ene-1,2-diol (CID 23045431) is 6-methyl-1-pyrrolidin-1-ylhept-6-ene-1,2-diol.
What is the SMILES notation for 6-methyl-1-pyrrolidin-1-ylhept-6-ene-1,2-diol?
The canonical SMILES for 6-methyl-1-pyrrolidin-1-ylhept-6-ene-1,2-diol is C=C(C)CCCC(O)C(O)N1CCCC1.
What is the InChIKey of 6-methyl-1-pyrrolidin-1-ylhept-6-ene-1,2-diol?
The InChIKey is NPYIALMLEQYPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-10(2)6-5-7-11(14)12(15)13-8-3-4-9-13/h11-12,14-15H,1,3-9H2,2H3.
What are the key properties of 6-methyl-1-pyrrolidin-1-ylhept-6-ene-1,2-diol?
6-methyl-1-pyrrolidin-1-ylhept-6-ene-1,2-diol has a molecular weight of 213.32 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-pyrrolidin-1-ylhept-6-ene-1,2-diol is sourced from PubChem (CID 23045431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).