1-methyl-3,3-di(propan-2-yl)pyrrolidin-2-one

C11H21NO — CID 150766000

IUPAC1-methyl-3,3-di(propan-2-yl)pyrrolidin-2-one
SMILESCC(C)C1(C(C)C)CCN(C)C1=O
InChIInChI=1S/C11H21NO/c1-8(2)11(9(3)4)6-7-12(5)10(11)13/h8-9H,6-7H2,1-5H3
InChIKeyJYVMQKHYCHHQRH-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.15
Rot. Bonds2

About 1-methyl-3,3-di(propan-2-yl)pyrrolidin-2-one

1-methyl-3,3-di(propan-2-yl)pyrrolidin-2-one (PubChem CID 150766000) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-methyl-3,3-di(propan-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-3,3-di(propan-2-yl)pyrrolidin-2-one
PubChem CID150766000
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-methyl-3,3-di(propan-2-yl)pyrrolidin-2-one
SMILESCC(C)C1(C(C)C)CCN(C)C1=O
InChIInChI=1S/C11H21NO/c1-8(2)11(9(3)4)6-7-12(5)10(11)13/h8-9H,6-7H2,1-5H3
InChIKeyJYVMQKHYCHHQRH-UHFFFAOYSA-N
XLogP2.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,3-di(propan-2-yl)pyrrolidin-2-one?
The IUPAC name of 1-methyl-3,3-di(propan-2-yl)pyrrolidin-2-one (CID 150766000) is 1-methyl-3,3-di(propan-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-3,3-di(propan-2-yl)pyrrolidin-2-one?
The canonical SMILES for 1-methyl-3,3-di(propan-2-yl)pyrrolidin-2-one is CC(C)C1(C(C)C)CCN(C)C1=O.
What is the InChIKey of 1-methyl-3,3-di(propan-2-yl)pyrrolidin-2-one?
The InChIKey is JYVMQKHYCHHQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-8(2)11(9(3)4)6-7-12(5)10(11)13/h8-9H,6-7H2,1-5H3.
What are the key properties of 1-methyl-3,3-di(propan-2-yl)pyrrolidin-2-one?
1-methyl-3,3-di(propan-2-yl)pyrrolidin-2-one has a molecular weight of 183.29 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,3-di(propan-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 150766000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).