1-(1-methylpyrrolidin-2-yl)propan-1-ol

C8H17NO — CID 20609780

IUPAC1-(1-methylpyrrolidin-2-yl)propan-1-ol
SMILESCCC(O)C1CCCN1C
InChIInChI=1S/C8H17NO/c1-3-8(10)7-5-4-6-9(7)2/h7-8,10H,3-6H2,1-2H3
InChIKeyPSAUTYISCSZSKN-UHFFFAOYSA-N
MW143.23 g/mol
LogP0.85
Rot. Bonds2

About 1-(1-methylpyrrolidin-2-yl)propan-1-ol

1-(1-methylpyrrolidin-2-yl)propan-1-ol (PubChem CID 20609780) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 1-(1-methylpyrrolidin-2-yl)propan-1-ol.

Molecular Properties

Compound Name1-(1-methylpyrrolidin-2-yl)propan-1-ol
PubChem CID20609780
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name1-(1-methylpyrrolidin-2-yl)propan-1-ol
SMILESCCC(O)C1CCCN1C
InChIInChI=1S/C8H17NO/c1-3-8(10)7-5-4-6-9(7)2/h7-8,10H,3-6H2,1-2H3
InChIKeyPSAUTYISCSZSKN-UHFFFAOYSA-N
XLogP0.85
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(1-methylpyrrolidin-2-yl)propan-1-ol 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 1-(1-methylpyrrolidin-2-yl)propan-1-ol?
The IUPAC name of 1-(1-methylpyrrolidin-2-yl)propan-1-ol (CID 20609780) is 1-(1-methylpyrrolidin-2-yl)propan-1-ol.
What is the SMILES notation for 1-(1-methylpyrrolidin-2-yl)propan-1-ol?
The canonical SMILES for 1-(1-methylpyrrolidin-2-yl)propan-1-ol is CCC(O)C1CCCN1C.
What is the InChIKey of 1-(1-methylpyrrolidin-2-yl)propan-1-ol?
The InChIKey is PSAUTYISCSZSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-3-8(10)7-5-4-6-9(7)2/h7-8,10H,3-6H2,1-2H3.
What are the key properties of 1-(1-methylpyrrolidin-2-yl)propan-1-ol?
1-(1-methylpyrrolidin-2-yl)propan-1-ol has a molecular weight of 143.23 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrrolidin-2-yl)propan-1-ol is sourced from PubChem (CID 20609780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).