1-(2-methylpropyl)pyrrolidin-3-ol

C8H17NO — CID 20672251

IUPAC1-(2-methylpropyl)pyrrolidin-3-ol
SMILESCC(C)CN1CCC(O)C1
InChIInChI=1S/C8H17NO/c1-7(2)5-9-4-3-8(10)6-9/h7-8,10H,3-6H2,1-2H3
InChIKeyJIJMHLNVPUQWOG-UHFFFAOYSA-N
MW143.23 g/mol
LogP0.71
Rot. Bonds2

About 1-(2-methylpropyl)pyrrolidin-3-ol

1-(2-methylpropyl)pyrrolidin-3-ol (PubChem CID 20672251) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 1-(2-methylpropyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(2-methylpropyl)pyrrolidin-3-ol
PubChem CID20672251
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name1-(2-methylpropyl)pyrrolidin-3-ol
SMILESCC(C)CN1CCC(O)C1
InChIInChI=1S/C8H17NO/c1-7(2)5-9-4-3-8(10)6-9/h7-8,10H,3-6H2,1-2H3
InChIKeyJIJMHLNVPUQWOG-UHFFFAOYSA-N
XLogP0.71
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 ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-methylpropyl)pyrrolidin-3-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-(2-methylpropyl)pyrrolidin-3-ol?
The IUPAC name of 1-(2-methylpropyl)pyrrolidin-3-ol (CID 20672251) is 1-(2-methylpropyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(2-methylpropyl)pyrrolidin-3-ol?
The canonical SMILES for 1-(2-methylpropyl)pyrrolidin-3-ol is CC(C)CN1CCC(O)C1.
What is the InChIKey of 1-(2-methylpropyl)pyrrolidin-3-ol?
The InChIKey is JIJMHLNVPUQWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-7(2)5-9-4-3-8(10)6-9/h7-8,10H,3-6H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)pyrrolidin-3-ol?
1-(2-methylpropyl)pyrrolidin-3-ol has a molecular weight of 143.23 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)pyrrolidin-3-ol is sourced from PubChem (CID 20672251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).