3-methyl-1-(2-methylpropyl)pyrrolidin-2-one

C9H17NO — CID 86201975

IUPAC3-methyl-1-(2-methylpropyl)pyrrolidin-2-one
SMILESCC(C)CN1CCC(C)C1=O
InChIInChI=1S/C9H17NO/c1-7(2)6-10-5-4-8(3)9(10)11/h7-8H,4-6H2,1-3H3
InChIKeyWEDZYYNDDGRBKH-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.51
Rot. Bonds2

About 3-methyl-1-(2-methylpropyl)pyrrolidin-2-one

3-methyl-1-(2-methylpropyl)pyrrolidin-2-one (PubChem CID 86201975) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 3-methyl-1-(2-methylpropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-methyl-1-(2-methylpropyl)pyrrolidin-2-one
PubChem CID86201975
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name3-methyl-1-(2-methylpropyl)pyrrolidin-2-one
SMILESCC(C)CN1CCC(C)C1=O
InChIInChI=1S/C9H17NO/c1-7(2)6-10-5-4-8(3)9(10)11/h7-8H,4-6H2,1-3H3
InChIKeyWEDZYYNDDGRBKH-UHFFFAOYSA-N
XLogP1.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-2-pyrrolidone
CID 13387
N-ethyl-2-pyrrolidone
CID 17595
N,N,N-Trimethyl-4-(2-oxo-1-pyrrolidinyl)-2-butyn-1-aminium
CID 4629
2-Pyrrolidinone, 1-butyl-
CID 18984
2-Pyrrolidinone, 1-(4-(dimethylamino)-2-butynyl)-
CID 199230
1,3-Dimethylpyrrolidin-2-one
CID 209257
2-Pyrrolidinone, 1-[3-(dimethylamino)propyl]-
CID 81848
2-Pyrrolidinone, 1-(1-methylpropyl)-
CID 11989721
1-(4-Dimethylamino-but-2-ynyl)-3-methyl-pyrrolidin-2-one
CID 14964499
Pyrrolidine, 1-(1-oxobutyl)-
CID 303117
1-Propyl-pyrrolidin-2-one
CID 566544
3-Methyl-1-(4-pyrrolidin-1-yl-but-2-ynyl)-pyrrolidin-2-one
CID 14964494

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methylpropyl)pyrrolidin-2-one?
The IUPAC name of 3-methyl-1-(2-methylpropyl)pyrrolidin-2-one (CID 86201975) is 3-methyl-1-(2-methylpropyl)pyrrolidin-2-one.
What is the SMILES notation for 3-methyl-1-(2-methylpropyl)pyrrolidin-2-one?
The canonical SMILES for 3-methyl-1-(2-methylpropyl)pyrrolidin-2-one is CC(C)CN1CCC(C)C1=O.
What is the InChIKey of 3-methyl-1-(2-methylpropyl)pyrrolidin-2-one?
The InChIKey is WEDZYYNDDGRBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-7(2)6-10-5-4-8(3)9(10)11/h7-8H,4-6H2,1-3H3.
What are the key properties of 3-methyl-1-(2-methylpropyl)pyrrolidin-2-one?
3-methyl-1-(2-methylpropyl)pyrrolidin-2-one has a molecular weight of 155.24 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 86201975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).