2-pyrrolidin-1-ylpropanedial

C7H11NO2 — CID 130025725

IUPAC2-pyrrolidin-1-ylpropanedial
SMILESO=CC(C=O)N1CCCC1
InChIInChI=1S/C7H11NO2/c9-5-7(6-10)8-3-1-2-4-8/h5-7H,1-4H2
InChIKeyXMJGRDMWRLKFHQ-UHFFFAOYSA-N
MW141.17 g/mol
LogP-0.15
Rot. Bonds3

About 2-pyrrolidin-1-ylpropanedial

2-pyrrolidin-1-ylpropanedial (PubChem CID 130025725) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 2-pyrrolidin-1-ylpropanedial.

Molecular Properties

Compound Name2-pyrrolidin-1-ylpropanedial
PubChem CID130025725
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name2-pyrrolidin-1-ylpropanedial
SMILESO=CC(C=O)N1CCCC1
InChIInChI=1S/C7H11NO2/c9-5-7(6-10)8-3-1-2-4-8/h5-7H,1-4H2
InChIKeyXMJGRDMWRLKFHQ-UHFFFAOYSA-N
XLogP-0.15
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-pyrrolidin-1-ylpropanedial 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

2-pyrrolidin-1-ylpenta-3,4-dienal
CID 91270778
1-penta-1,4-dien-3-ylpiperidine;hydrochloride
CID 173077168
3-amino-2-piperidin-1-ylpropanal
CID 131967781
formic acid;1-propan-2-ylpyrrolidine
CID 162750581
1,4-dimethylpiperazine;2-methylpropanal;1-propan-2-ylpyrrolidine
CID 166458931
2-pyrrolidin-1-ylpent-3-ynal
CID 173071160
N,N-dimethylformamide;ethane;1-propan-2-ylpyrrolidine
CID 162750414
(methylideneamino)-piperidin-1-ylmethanol
CID 159673764
2,2-dimethylpropanal;ethane;1-propan-2-ylpiperidine
CID 177325455
(2R)-2-propyl-5-pyrrolidin-1-ylhexanal
CID 142922370
ethene;1-propan-2-ylpiperidine
CID 177325228
(E,4R)-4-pyrrolidin-1-ylpent-2-enoic acid
CID 177230403

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-ylpropanedial?
The IUPAC name of 2-pyrrolidin-1-ylpropanedial (CID 130025725) is 2-pyrrolidin-1-ylpropanedial.
What is the SMILES notation for 2-pyrrolidin-1-ylpropanedial?
The canonical SMILES for 2-pyrrolidin-1-ylpropanedial is O=CC(C=O)N1CCCC1.
What is the InChIKey of 2-pyrrolidin-1-ylpropanedial?
The InChIKey is XMJGRDMWRLKFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c9-5-7(6-10)8-3-1-2-4-8/h5-7H,1-4H2.
What are the key properties of 2-pyrrolidin-1-ylpropanedial?
2-pyrrolidin-1-ylpropanedial has a molecular weight of 141.17 g/mol, XLogP of -0.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-ylpropanedial is sourced from PubChem (CID 130025725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).