2-bromo-2-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]acetaldehyde

C10H18BrNO — CID 174857241

IUPAC2-bromo-2-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]acetaldehyde
SMILESCC(C)CN1CCC[C@H]1C(Br)C=O
InChIInChI=1S/C10H18BrNO/c1-8(2)6-12-5-3-4-10(12)9(11)7-13/h7-10H,3-6H2,1-2H3/t9?,10-/m0/s1
InChIKeyUYKCWEHKKXAHHA-AXDSSHIGSA-N
MW248.16 g/mol
LogP2.07
Rot. Bonds4

About 2-bromo-2-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]acetaldehyde

2-bromo-2-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]acetaldehyde (PubChem CID 174857241) has the molecular formula C10H18BrNO and a molecular weight of 248.16 g/mol. Its IUPAC name is 2-bromo-2-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]acetaldehyde.

Molecular Properties

Compound Name2-bromo-2-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]acetaldehyde
PubChem CID174857241
Molecular FormulaC10H18BrNO
Molecular Weight248.16 g/mol
Exact Mass247.06
IUPAC Name2-bromo-2-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]acetaldehyde
SMILESCC(C)CN1CCC[C@H]1C(Br)C=O
InChIInChI=1S/C10H18BrNO/c1-8(2)6-12-5-3-4-10(12)9(11)7-13/h7-10H,3-6H2,1-2H3/t9?,10-/m0/s1
InChIKeyUYKCWEHKKXAHHA-AXDSSHIGSA-N
XLogP2.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.16
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-(2-methylpropyl)pyrrolidine-2-carboxylic acid;sulfane
CID 160932725
(2R)-2-(fluoromethyl)-1-(2-methylpropyl)pyrrolidine
CID 165411366
trimethyl-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]silane
CID 11356096
beryllium;ethane;2-methanidyl-1-(2-methylpropyl)pyrrolidine
CID 173479444
methyl 2-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]acetate
CID 121006441
2-methyl-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]propan-1-amine
CID 103880736
2-[(2R,3R)-2-ethyl-1-(2-methylpropyl)piperidin-3-yl]acetic acid
CID 98009847
1-[1-(2-methylpropyl)piperidin-2-yl]propan-2-one
CID 79537849
2-[1-(2-methylpropyl)pyrrolidin-2-yl]ethanol
CID 117028492
N-[[1-(2-methylpropyl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 62579624
2-(bromomethyl)-1-(2-methylpropyl)azepane
CID 116638294
(4-methoxyphenyl)-[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methanol
CID 101213323

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]acetaldehyde?
The IUPAC name of 2-bromo-2-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]acetaldehyde (CID 174857241) is 2-bromo-2-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]acetaldehyde.
What is the SMILES notation for 2-bromo-2-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]acetaldehyde?
The canonical SMILES for 2-bromo-2-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]acetaldehyde is CC(C)CN1CCC[C@H]1C(Br)C=O.
What is the InChIKey of 2-bromo-2-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]acetaldehyde?
The InChIKey is UYKCWEHKKXAHHA-AXDSSHIGSA-N. The full InChI is InChI=1S/C10H18BrNO/c1-8(2)6-12-5-3-4-10(12)9(11)7-13/h7-10H,3-6H2,1-2H3/t9?,10-/m0/s1.
What are the key properties of 2-bromo-2-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]acetaldehyde?
2-bromo-2-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]acetaldehyde has a molecular weight of 248.16 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]acetaldehyde is sourced from PubChem (CID 174857241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).