(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbaldehyde

C8H13NO2 — CID 97182050

IUPAC(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbaldehyde
SMILESCC(C)N1C[C@H](C=O)CC1=O
InChIInChI=1S/C8H13NO2/c1-6(2)9-4-7(5-10)3-8(9)11/h5-7H,3-4H2,1-2H3/t7-/m1/s1
InChIKeyLFDLEAOWQKSRAA-SSDOTTSWSA-N
MW155.20 g/mol
LogP0.44
Rot. Bonds2

About (3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbaldehyde

(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbaldehyde (PubChem CID 97182050) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbaldehyde.

Molecular Properties

Compound Name(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbaldehyde
PubChem CID97182050
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbaldehyde
SMILESCC(C)N1C[C@H](C=O)CC1=O
InChIInChI=1S/C8H13NO2/c1-6(2)9-4-7(5-10)3-8(9)11/h5-7H,3-4H2,1-2H3/t7-/m1/s1
InChIKeyLFDLEAOWQKSRAA-SSDOTTSWSA-N
XLogP0.44
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.44
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

1-[1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carbaldehyde
CID 123749070
(3S)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbaldehyde
CID 97182055
(4R)-4-methyl-1-propan-2-ylpiperidin-2-one
CID 146189897
1,4-di(propan-2-yl)piperidin-2-one
CID 59815013
1-[2-(4-formyl-2-oxopyrrolidin-1-yl)ethyl]-5-oxopyrrolidine-3-carbaldehyde
CID 22035597
4-(aminomethyl)-1-propan-2-ylpyrrolidin-2-one
CID 44827665
4-(dimethylamino)-1-propan-2-ylpiperidin-2-one
CID 149452185
4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1-propan-2-ylpyrrolidin-2-one
CID 59074189
1-propan-2-ylazetidine-3-carbaldehyde
CID 22896263
(5S)-5-amino-1-propan-2-ylpiperidin-2-one
CID 95241415
1-[(1S)-1-cyclohexylethyl]-4-ethenylpyrrolidin-2-one
CID 168683667
4-(2-amino-2-methylpropyl)sulfanyl-1-propan-2-ylpyrrolidin-2-one
CID 129257176

Frequently Asked Questions

What is the IUPAC name of (3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbaldehyde?
The IUPAC name of (3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbaldehyde (CID 97182050) is (3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbaldehyde.
What is the SMILES notation for (3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbaldehyde?
The canonical SMILES for (3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbaldehyde is CC(C)N1C[C@H](C=O)CC1=O.
What is the InChIKey of (3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbaldehyde?
The InChIKey is LFDLEAOWQKSRAA-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H13NO2/c1-6(2)9-4-7(5-10)3-8(9)11/h5-7H,3-4H2,1-2H3/t7-/m1/s1.
What are the key properties of (3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbaldehyde?
(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbaldehyde has a molecular weight of 155.20 g/mol, XLogP of 0.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbaldehyde is sourced from PubChem (CID 97182050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).