5-chloro-2-(2-ethyl-5-methylpyrrolidin-1-yl)benzaldehyde

C14H18ClNO — CID 114844521

IUPAC5-chloro-2-(2-ethyl-5-methylpyrrolidin-1-yl)benzaldehyde
SMILESCCC1CCC(C)N1c1ccc(Cl)cc1C=O
InChIInChI=1S/C14H18ClNO/c1-3-13-6-4-10(2)16(13)14-7-5-12(15)8-11(14)9-17/h5,7-10,13H,3-4,6H2,1-2H3
InChIKeyOADZVVLIKOKQCF-UHFFFAOYSA-N
MW251.76 g/mol
LogP3.92
Rot. Bonds3

About 5-chloro-2-(2-ethyl-5-methylpyrrolidin-1-yl)benzaldehyde

5-chloro-2-(2-ethyl-5-methylpyrrolidin-1-yl)benzaldehyde (PubChem CID 114844521) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is 5-chloro-2-(2-ethyl-5-methylpyrrolidin-1-yl)benzaldehyde.

Molecular Properties

Compound Name5-chloro-2-(2-ethyl-5-methylpyrrolidin-1-yl)benzaldehyde
PubChem CID114844521
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC Name5-chloro-2-(2-ethyl-5-methylpyrrolidin-1-yl)benzaldehyde
SMILESCCC1CCC(C)N1c1ccc(Cl)cc1C=O
InChIInChI=1S/C14H18ClNO/c1-3-13-6-4-10(2)16(13)14-7-5-12(15)8-11(14)9-17/h5,7-10,13H,3-4,6H2,1-2H3
InChIKeyOADZVVLIKOKQCF-UHFFFAOYSA-N
XLogP3.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.92
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-ethyl-5-methylpyrrolidin-1-yl)phenyl]methanol
CID 114845830
[4-chloro-2-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methanamine
CID 83227050
5-chloro-2-(2-ethylpiperidin-1-yl)benzaldehyde
CID 114843917
4-chloro-2-(2-ethyl-5-methylpyrrolidin-1-yl)benzenecarbothioamide
CID 83227036
1-[4-(bromomethyl)-2-chlorophenyl]-2-ethyl-5-methylpyrrolidine
CID 107084954
1-[4-(chloromethyl)-2-methylphenyl]-2-ethyl-5-methylpyrrolidine
CID 83220397
5-chloro-2-(3-ethylmorpholin-4-yl)benzaldehyde
CID 114843991
5-chloro-2-(4,4-diethylpiperidin-1-yl)benzaldehyde
CID 114844295
5-chloro-2-(4-ethylazepan-1-yl)benzaldehyde
CID 114844366
5-chloro-2-(2-methylazepan-1-yl)benzaldehyde
CID 114844359
N-[[3-chloro-4-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methyl]propan-2-amine
CID 83218925
1-[4-(bromomethyl)-2-methylphenyl]-2-ethyl-5-methylpyrrolidine
CID 107084955

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-ethyl-5-methylpyrrolidin-1-yl)benzaldehyde?
The IUPAC name of 5-chloro-2-(2-ethyl-5-methylpyrrolidin-1-yl)benzaldehyde (CID 114844521) is 5-chloro-2-(2-ethyl-5-methylpyrrolidin-1-yl)benzaldehyde.
What is the SMILES notation for 5-chloro-2-(2-ethyl-5-methylpyrrolidin-1-yl)benzaldehyde?
The canonical SMILES for 5-chloro-2-(2-ethyl-5-methylpyrrolidin-1-yl)benzaldehyde is CCC1CCC(C)N1c1ccc(Cl)cc1C=O.
What is the InChIKey of 5-chloro-2-(2-ethyl-5-methylpyrrolidin-1-yl)benzaldehyde?
The InChIKey is OADZVVLIKOKQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO/c1-3-13-6-4-10(2)16(13)14-7-5-12(15)8-11(14)9-17/h5,7-10,13H,3-4,6H2,1-2H3.
What are the key properties of 5-chloro-2-(2-ethyl-5-methylpyrrolidin-1-yl)benzaldehyde?
5-chloro-2-(2-ethyl-5-methylpyrrolidin-1-yl)benzaldehyde has a molecular weight of 251.76 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-ethyl-5-methylpyrrolidin-1-yl)benzaldehyde is sourced from PubChem (CID 114844521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).