1-propan-2-ylpyrrolidin-3-one

C7H13NO — CID 21481278

IUPAC1-propan-2-ylpyrrolidin-3-one
SMILESCC(C)N1CCC(=O)C1
InChIInChI=1S/C7H13NO/c1-6(2)8-4-3-7(9)5-8/h6H,3-5H2,1-2H3
InChIKeyHWTOGAWRASXJNF-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.67
Rot. Bonds1

About 1-propan-2-ylpyrrolidin-3-one

1-propan-2-ylpyrrolidin-3-one (PubChem CID 21481278) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 1-propan-2-ylpyrrolidin-3-one.

Molecular Properties

Compound Name1-propan-2-ylpyrrolidin-3-one
PubChem CID21481278
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name1-propan-2-ylpyrrolidin-3-one
SMILESCC(C)N1CCC(=O)C1
InChIInChI=1S/C7H13NO/c1-6(2)8-4-3-7(9)5-8/h6H,3-5H2,1-2H3
InChIKeyHWTOGAWRASXJNF-UHFFFAOYSA-N
XLogP0.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-Pyrrolidinyl)-2-propanone
CID 15774823
1-(1-Pyrrolidinyl)-2-butanone
CID 15801221
3-(1-Pyrrolidinyl)-2-butanone
CID 23388489
3-Pyrrolidone, 1-methyl-
CID 144283
2-(1-Pyrrolidinyl)-3-pentanone
CID 64868866
3-(1-Pyrrolidinyl)-2-pentanone
CID 67699479
1-Methylpyrrolidin-3-one hydrochloride
CID 12619383
1,5-Dimethylpyrrolidin-3-one
CID 21016055
1-Cyclopropylpyrrolidin-3-one
CID 23053200
4-Methyl-1-(propan-2-yl)pyrrolidin-3-one
CID 68224907
1-Tert-butylpyrrolidin-3-one
CID 43314760
3-Pyrrolidinone, 1-cyclopropyl-5-methyl-
CID 71755740

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylpyrrolidin-3-one?
The IUPAC name of 1-propan-2-ylpyrrolidin-3-one (CID 21481278) is 1-propan-2-ylpyrrolidin-3-one.
What is the SMILES notation for 1-propan-2-ylpyrrolidin-3-one?
The canonical SMILES for 1-propan-2-ylpyrrolidin-3-one is CC(C)N1CCC(=O)C1.
What is the InChIKey of 1-propan-2-ylpyrrolidin-3-one?
The InChIKey is HWTOGAWRASXJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-6(2)8-4-3-7(9)5-8/h6H,3-5H2,1-2H3.
What are the key properties of 1-propan-2-ylpyrrolidin-3-one?
1-propan-2-ylpyrrolidin-3-one has a molecular weight of 127.19 g/mol, XLogP of 0.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylpyrrolidin-3-one is sourced from PubChem (CID 21481278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).