(3S)-3-propan-2-ylpyrrolidin-2-one

C7H13NO — CID 55299838

IUPAC(3S)-3-propan-2-ylpyrrolidin-2-one
SMILESCC(C)[C@@H]1CCNC1=O
InChIInChI=1S/C7H13NO/c1-5(2)6-3-4-8-7(6)9/h5-6H,3-4H2,1-2H3,(H,8,9)/t6-/m0/s1
InChIKeyNGIZWTLYXYMEFV-LURJTMIESA-N
MW127.19 g/mol
LogP0.78
Rot. Bonds1

About (3S)-3-propan-2-ylpyrrolidin-2-one

(3S)-3-propan-2-ylpyrrolidin-2-one (PubChem CID 55299838) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (3S)-3-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-propan-2-ylpyrrolidin-2-one
PubChem CID55299838
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(3S)-3-propan-2-ylpyrrolidin-2-one
SMILESCC(C)[C@@H]1CCNC1=O
InChIInChI=1S/C7H13NO/c1-5(2)6-3-4-8-7(6)9/h5-6H,3-4H2,1-2H3,(H,8,9)/t6-/m0/s1
InChIKeyNGIZWTLYXYMEFV-LURJTMIESA-N
XLogP0.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-Diethyl-2-pyrrolidinone
CID 9793807
3-Methylpyrrolidin-2-one
CID 102848
3-Ethyl-2-pyrrolidinone
CID 18442682
4-Methyl-2-pyrrolidinone
CID 533920
3-Ethyl-3-methylpyrrolidin-2-one
CID 21634101
(5S)-5-(propan-2-yl)pyrrolidin-2-one
CID 13082303
4-(2-Methylpropyl)pyrrolidin-2-one
CID 16101323
Pregabalin lactam
CID 16101324
3-Methyl-3-(propan-2-YL)pyrrolidin-2-one
CID 10558714
3-Ethyl-3-isopropylpyrrolidin-2-one
CID 10606999
5-(Propan-2-yl)pyrrolidin-2-one
CID 13082302
3,4-Dimethylpyrrolidin-2-one
CID 13297684

Frequently Asked Questions

What is the IUPAC name of (3S)-3-propan-2-ylpyrrolidin-2-one?
The IUPAC name of (3S)-3-propan-2-ylpyrrolidin-2-one (CID 55299838) is (3S)-3-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for (3S)-3-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for (3S)-3-propan-2-ylpyrrolidin-2-one is CC(C)[C@@H]1CCNC1=O.
What is the InChIKey of (3S)-3-propan-2-ylpyrrolidin-2-one?
The InChIKey is NGIZWTLYXYMEFV-LURJTMIESA-N. The full InChI is InChI=1S/C7H13NO/c1-5(2)6-3-4-8-7(6)9/h5-6H,3-4H2,1-2H3,(H,8,9)/t6-/m0/s1.
What are the key properties of (3S)-3-propan-2-ylpyrrolidin-2-one?
(3S)-3-propan-2-ylpyrrolidin-2-one has a molecular weight of 127.19 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 55299838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).