4-pyrrolidin-3-ylbutan-2-ol

C8H17NO — CID 82417870

IUPAC4-pyrrolidin-3-ylbutan-2-ol
SMILESCC(O)CCC1CCNC1
InChIInChI=1S/C8H17NO/c1-7(10)2-3-8-4-5-9-6-8/h7-10H,2-6H2,1H3
InChIKeyVZUNAAWGGSTWTA-UHFFFAOYSA-N
MW143.23 g/mol
LogP0.76
Rot. Bonds3

About 4-pyrrolidin-3-ylbutan-2-ol

4-pyrrolidin-3-ylbutan-2-ol (PubChem CID 82417870) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 4-pyrrolidin-3-ylbutan-2-ol.

Molecular Properties

Compound Name4-pyrrolidin-3-ylbutan-2-ol
PubChem CID82417870
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name4-pyrrolidin-3-ylbutan-2-ol
SMILESCC(O)CCC1CCNC1
InChIInChI=1S/C8H17NO/c1-7(10)2-3-8-4-5-9-6-8/h7-10H,2-6H2,1H3
InChIKeyVZUNAAWGGSTWTA-UHFFFAOYSA-N
XLogP0.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-pyrrolidin-3-ylbutan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-pyrrolidin-3-ylethoxy)propan-2-ol
CID 106939109
(3R)-3-[2-[(3R)-pyrrolidin-3-yl]ethyl]pyrrolidine
CID 129415517
3-(3-methylbutyl)piperidine
CID 53409753
N-methyl-N-(2-pyrrolidin-3-ylethyl)hydroxylamine
CID 105428686
N-[2-[(3S)-pyrrolidin-3-yl]ethyl]propan-2-amine;hydrochloride
CID 71637413
4-methyl-N-(2-pyrrolidin-3-ylethyl)pentan-1-amine
CID 115210839
4-(4-ethylcyclohexyl)butan-2-ol
CID 64774700
3-[(3R)-pyrrolidin-3-yl]propanamide
CID 174976551
5-methyl-N-(3-pyrrolidin-3-ylpropyl)hexan-1-amine
CID 115326036
3-(2-iodoethyl)pyrrolidine
CID 71648953
(2R)-4-(oxan-4-yl)butan-2-ol
CID 94422374
(3S)-3-pentylpyrrolidine
CID 10261191

Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-3-ylbutan-2-ol?
The IUPAC name of 4-pyrrolidin-3-ylbutan-2-ol (CID 82417870) is 4-pyrrolidin-3-ylbutan-2-ol.
What is the SMILES notation for 4-pyrrolidin-3-ylbutan-2-ol?
The canonical SMILES for 4-pyrrolidin-3-ylbutan-2-ol is CC(O)CCC1CCNC1.
What is the InChIKey of 4-pyrrolidin-3-ylbutan-2-ol?
The InChIKey is VZUNAAWGGSTWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-7(10)2-3-8-4-5-9-6-8/h7-10H,2-6H2,1H3.
What are the key properties of 4-pyrrolidin-3-ylbutan-2-ol?
4-pyrrolidin-3-ylbutan-2-ol has a molecular weight of 143.23 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-3-ylbutan-2-ol is sourced from PubChem (CID 82417870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).