2-(2-ethylpyrrolidin-1-yl)benzaldehyde

C13H17NO — CID 60973642

IUPAC2-(2-ethylpyrrolidin-1-yl)benzaldehyde
SMILESCCC1CCCN1c1ccccc1C=O
InChIInChI=1S/C13H17NO/c1-2-12-7-5-9-14(12)13-8-4-3-6-11(13)10-15/h3-4,6,8,10,12H,2,5,7,9H2,1H3
InChIKeyLSRHNRPHZUBZKO-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.88
Rot. Bonds3

About 2-(2-ethylpyrrolidin-1-yl)benzaldehyde

2-(2-ethylpyrrolidin-1-yl)benzaldehyde (PubChem CID 60973642) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 2-(2-ethylpyrrolidin-1-yl)benzaldehyde.

Molecular Properties

Compound Name2-(2-ethylpyrrolidin-1-yl)benzaldehyde
PubChem CID60973642
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name2-(2-ethylpyrrolidin-1-yl)benzaldehyde
SMILESCCC1CCCN1c1ccccc1C=O
InChIInChI=1S/C13H17NO/c1-2-12-7-5-9-14(12)13-8-4-3-6-11(13)10-15/h3-4,6,8,10,12H,2,5,7,9H2,1H3
InChIKeyLSRHNRPHZUBZKO-UHFFFAOYSA-N
XLogP2.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-(2-ethylpiperidin-1-yl)benzaldehyde
CID 114843917
4-bromo-2-(2-ethylpiperidin-1-yl)benzaldehyde
CID 43266612
[2-(2-ethylpyrrolidin-1-yl)phenyl]methanol
CID 60973877
2-(2-azabicyclo[4.1.0]heptan-2-yl)benzaldehyde
CID 117045336
(1R)-1-[2-(2-ethylpyrrolidin-1-yl)phenyl]ethanol
CID 78939880
2-[2-(2-ethylpyrrolidin-1-yl)phenyl]ethanamine
CID 63784557
(1S)-1-[2-(2-ethylpyrrolidin-1-yl)phenyl]ethanol
CID 63370962
4-(2-ethylpyrrolidin-1-yl)-3-fluorobenzaldehyde
CID 60973753
2-(4-ethylpiperidin-1-yl)benzaldehyde
CID 61421010
(1R)-1-[2-(2-ethylpyrrolidin-1-yl)phenyl]propan-1-amine
CID 103958582
2-[1-(2-ethylphenyl)pyrrolidin-2-yl]ethanol
CID 117028523
[2-(2-ethylazepan-1-yl)phenyl]methanamine
CID 104688934

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylpyrrolidin-1-yl)benzaldehyde?
The IUPAC name of 2-(2-ethylpyrrolidin-1-yl)benzaldehyde (CID 60973642) is 2-(2-ethylpyrrolidin-1-yl)benzaldehyde.
What is the SMILES notation for 2-(2-ethylpyrrolidin-1-yl)benzaldehyde?
The canonical SMILES for 2-(2-ethylpyrrolidin-1-yl)benzaldehyde is CCC1CCCN1c1ccccc1C=O.
What is the InChIKey of 2-(2-ethylpyrrolidin-1-yl)benzaldehyde?
The InChIKey is LSRHNRPHZUBZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-2-12-7-5-9-14(12)13-8-4-3-6-11(13)10-15/h3-4,6,8,10,12H,2,5,7,9H2,1H3.
What are the key properties of 2-(2-ethylpyrrolidin-1-yl)benzaldehyde?
2-(2-ethylpyrrolidin-1-yl)benzaldehyde has a molecular weight of 203.29 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylpyrrolidin-1-yl)benzaldehyde is sourced from PubChem (CID 60973642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).