3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2,2-dimethylpropanal

C12H23NO2 — CID 62478854

IUPAC3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2,2-dimethylpropanal
SMILESCC(C)(C=O)CN1CCCC1CCCO
InChIInChI=1S/C12H23NO2/c1-12(2,10-15)9-13-7-3-5-11(13)6-4-8-14/h10-11,14H,3-9H2,1-2H3
InChIKeyJBXVEBRIYIOCRH-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.45
Rot. Bonds6

About 3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2,2-dimethylpropanal

3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2,2-dimethylpropanal (PubChem CID 62478854) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2,2-dimethylpropanal.

Molecular Properties

Compound Name3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2,2-dimethylpropanal
PubChem CID62478854
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2,2-dimethylpropanal
SMILESCC(C)(C=O)CN1CCCC1CCCO
InChIInChI=1S/C12H23NO2/c1-12(2,10-15)9-13-7-3-5-11(13)6-4-8-14/h10-11,14H,3-9H2,1-2H3
InChIKeyJBXVEBRIYIOCRH-UHFFFAOYSA-N
XLogP1.45
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2,2-dimethylpropanal 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

3-[2-(2-hydroxyethyl)piperidin-1-yl]-2,2-dimethylpropanal
CID 62276374
3-[1-[3-(ethylamino)-2,2-dimethylpropyl]pyrrolidin-2-yl]propan-1-ol
CID 55076512
3-(1-ethylpyrrolidin-2-yl)propan-1-ol
CID 62467784
2-ethyl-2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]butan-1-ol
CID 62479744
N-tert-butyl-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide
CID 62468848
3-[1-[2-methyl-2-[(propan-2-ylamino)methyl]butyl]pyrrolidin-2-yl]propan-1-ol
CID 62479393
1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-2-ol
CID 62468156
(2S)-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-2-ol
CID 106932811
3-[1-(2-fluoroethyl)pyrrolidin-2-yl]propan-1-ol
CID 80601823
4-tert-butyl-2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]cyclohexan-1-one
CID 62612745
trifluoro-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]boranuide
CID 63704892
4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]butanoic acid
CID 62466874

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2,2-dimethylpropanal?
The IUPAC name of 3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2,2-dimethylpropanal (CID 62478854) is 3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2,2-dimethylpropanal.
What is the SMILES notation for 3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2,2-dimethylpropanal?
The canonical SMILES for 3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2,2-dimethylpropanal is CC(C)(C=O)CN1CCCC1CCCO.
What is the InChIKey of 3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2,2-dimethylpropanal?
The InChIKey is JBXVEBRIYIOCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-12(2,10-15)9-13-7-3-5-11(13)6-4-8-14/h10-11,14H,3-9H2,1-2H3.
What are the key properties of 3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2,2-dimethylpropanal?
3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2,2-dimethylpropanal has a molecular weight of 213.32 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2,2-dimethylpropanal is sourced from PubChem (CID 62478854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).