1-[(2R)-1-propan-2-ylpyrrolidin-2-yl]ethanone

C9H17NO — CID 59945997

IUPAC1-[(2R)-1-propan-2-ylpyrrolidin-2-yl]ethanone
SMILESCC(=O)[C@H]1CCCN1C(C)C
InChIInChI=1S/C9H17NO/c1-7(2)10-6-4-5-9(10)8(3)11/h7,9H,4-6H2,1-3H3/t9-/m1/s1
InChIKeyZVNXRVWCVPGIES-SECBINFHSA-N
MW155.24 g/mol
LogP1.45
Rot. Bonds2

About 1-[(2R)-1-propan-2-ylpyrrolidin-2-yl]ethanone

1-[(2R)-1-propan-2-ylpyrrolidin-2-yl]ethanone (PubChem CID 59945997) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-[(2R)-1-propan-2-ylpyrrolidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-1-propan-2-ylpyrrolidin-2-yl]ethanone
PubChem CID59945997
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-[(2R)-1-propan-2-ylpyrrolidin-2-yl]ethanone
SMILESCC(=O)[C@H]1CCCN1C(C)C
InChIInChI=1S/C9H17NO/c1-7(2)10-6-4-5-9(10)8(3)11/h7,9H,4-6H2,1-3H3/t9-/m1/s1
InChIKeyZVNXRVWCVPGIES-SECBINFHSA-N
XLogP1.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-[1-(1-hydroxyethyl)pyrrolidin-2-yl]ethanone
CID 142147232
1-propan-2-yl-2-prop-1-en-2-ylpyrrolidine
CID 67564463
N-methyl-1-propan-2-ylpyrrolidine-2-carboxamide
CID 21355300
ethane;1-propan-2-ylpiperidine-2-carboxylic acid
CID 144742898
1-[1-[(2S)-1-propan-2-ylpyrrolidine-2-carbonyl]piperidin-3-yl]ethanone
CID 170366358
2-[(2R)-2-acetylpyrrolidin-1-yl]-3-hydroxypropanoic acid
CID 59945902
tert-butyl (2R)-1-propan-2-ylpyrrolidine-2-carboxylate
CID 115320230
potassium;carbanide;ethane;ethene;2-methyl-1-(1-propan-2-ylpyrrolidin-2-yl)propan-1-one
CID 157097764
2-(2-acetylpiperidin-1-yl)-N,N-dimethylpropanamide
CID 63846538
(2S)-1-[(2R)-2-acetylpyrrolidin-1-yl]-2-aminopropan-1-one
CID 59945910
N-methyl-N-(1-methylpiperidin-4-yl)-1-propan-2-ylpyrrolidine-2-carboxamide
CID 20813683
1-[(2S)-1-propan-2-ylpyrrolidin-2-yl]propan-2-one
CID 164547301

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-propan-2-ylpyrrolidin-2-yl]ethanone?
The IUPAC name of 1-[(2R)-1-propan-2-ylpyrrolidin-2-yl]ethanone (CID 59945997) is 1-[(2R)-1-propan-2-ylpyrrolidin-2-yl]ethanone.
What is the SMILES notation for 1-[(2R)-1-propan-2-ylpyrrolidin-2-yl]ethanone?
The canonical SMILES for 1-[(2R)-1-propan-2-ylpyrrolidin-2-yl]ethanone is CC(=O)[C@H]1CCCN1C(C)C.
What is the InChIKey of 1-[(2R)-1-propan-2-ylpyrrolidin-2-yl]ethanone?
The InChIKey is ZVNXRVWCVPGIES-SECBINFHSA-N. The full InChI is InChI=1S/C9H17NO/c1-7(2)10-6-4-5-9(10)8(3)11/h7,9H,4-6H2,1-3H3/t9-/m1/s1.
What are the key properties of 1-[(2R)-1-propan-2-ylpyrrolidin-2-yl]ethanone?
1-[(2R)-1-propan-2-ylpyrrolidin-2-yl]ethanone has a molecular weight of 155.24 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-propan-2-ylpyrrolidin-2-yl]ethanone is sourced from PubChem (CID 59945997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).