1-(2-methylbutan-2-yl)pyrrolidin-3-one

C9H17NO — CID 43314833

IUPAC1-(2-methylbutan-2-yl)pyrrolidin-3-one
SMILESCCC(C)(C)N1CCC(=O)C1
InChIInChI=1S/C9H17NO/c1-4-9(2,3)10-6-5-8(11)7-10/h4-7H2,1-3H3
InChIKeyGHXHAIPRYKFAAR-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.45
Rot. Bonds2

About 1-(2-methylbutan-2-yl)pyrrolidin-3-one

1-(2-methylbutan-2-yl)pyrrolidin-3-one (PubChem CID 43314833) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-(2-methylbutan-2-yl)pyrrolidin-3-one.

Molecular Properties

Compound Name1-(2-methylbutan-2-yl)pyrrolidin-3-one
PubChem CID43314833
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-(2-methylbutan-2-yl)pyrrolidin-3-one
SMILESCCC(C)(C)N1CCC(=O)C1
InChIInChI=1S/C9H17NO/c1-4-9(2,3)10-6-5-8(11)7-10/h4-7H2,1-3H3
InChIKeyGHXHAIPRYKFAAR-UHFFFAOYSA-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

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
1,5,5-Trimethylpyrrolidin-3-one
CID 21025953
1-(Propan-2-yl)pyrrolidin-3-one
CID 21481278
4-Methyl-1-(propan-2-yl)pyrrolidin-3-one
CID 68224907
1-Tert-butylpyrrolidin-3-one
CID 43314760
1-Cyclopropyl-4-methylpyrrolidin-3-one
CID 71755792
1-Tert-butylpyrrolidin-3-one hydrochloride
CID 90489044
2-Butanone, 3-methyl-3-[methyl(1-methylethyl)amino]-
CID 46420
1-Ethylpyrrolidin-3-one
CID 330395

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbutan-2-yl)pyrrolidin-3-one?
The IUPAC name of 1-(2-methylbutan-2-yl)pyrrolidin-3-one (CID 43314833) is 1-(2-methylbutan-2-yl)pyrrolidin-3-one.
What is the SMILES notation for 1-(2-methylbutan-2-yl)pyrrolidin-3-one?
The canonical SMILES for 1-(2-methylbutan-2-yl)pyrrolidin-3-one is CCC(C)(C)N1CCC(=O)C1.
What is the InChIKey of 1-(2-methylbutan-2-yl)pyrrolidin-3-one?
The InChIKey is GHXHAIPRYKFAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-4-9(2,3)10-6-5-8(11)7-10/h4-7H2,1-3H3.
What are the key properties of 1-(2-methylbutan-2-yl)pyrrolidin-3-one?
1-(2-methylbutan-2-yl)pyrrolidin-3-one 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-(2-methylbutan-2-yl)pyrrolidin-3-one is sourced from PubChem (CID 43314833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).