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

C11H23NO — CID 158114726

IUPAC1,3-di(propan-2-yl)pyrrolidin-2-one;methane
SMILESC.CC(C)C1CCN(C(C)C)C1=O
InChIInChI=1S/C10H19NO.CH4/c1-7(2)9-5-6-11(8(3)4)10(9)12;/h7-9H,5-6H2,1-4H3;1H4
InChIKeyFQVZBURDJAPWIJ-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.54
Rot. Bonds2

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

1,3-di(propan-2-yl)pyrrolidin-2-one;methane (PubChem CID 158114726) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 1,3-di(propan-2-yl)pyrrolidin-2-one;methane.

Molecular Properties

Compound Name1,3-di(propan-2-yl)pyrrolidin-2-one;methane
PubChem CID158114726
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name1,3-di(propan-2-yl)pyrrolidin-2-one;methane
SMILESC.CC(C)C1CCN(C(C)C)C1=O
InChIInChI=1S/C10H19NO.CH4/c1-7(2)9-5-6-11(8(3)4)10(9)12;/h7-9H,5-6H2,1-4H3;1H4
InChIKeyFQVZBURDJAPWIJ-UHFFFAOYSA-N
XLogP2.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-di(propan-2-yl)pyrrolidin-2-one;methane?
The IUPAC name of 1,3-di(propan-2-yl)pyrrolidin-2-one;methane (CID 158114726) is 1,3-di(propan-2-yl)pyrrolidin-2-one;methane.
What is the SMILES notation for 1,3-di(propan-2-yl)pyrrolidin-2-one;methane?
The canonical SMILES for 1,3-di(propan-2-yl)pyrrolidin-2-one;methane is C.CC(C)C1CCN(C(C)C)C1=O.
What is the InChIKey of 1,3-di(propan-2-yl)pyrrolidin-2-one;methane?
The InChIKey is FQVZBURDJAPWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO.CH4/c1-7(2)9-5-6-11(8(3)4)10(9)12;/h7-9H,5-6H2,1-4H3;1H4.
What are the key properties of 1,3-di(propan-2-yl)pyrrolidin-2-one;methane?
1,3-di(propan-2-yl)pyrrolidin-2-one;methane has a molecular weight of 185.31 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-di(propan-2-yl)pyrrolidin-2-one;methane is sourced from PubChem (CID 158114726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).