5-methylidene-3,4-di(propan-2-yl)pyrrolidin-2-one

C11H19NO — CID 167693659

IUPAC5-methylidene-3,4-di(propan-2-yl)pyrrolidin-2-one
SMILESC=C1NC(=O)C(C(C)C)C1C(C)C
InChIInChI=1S/C11H19NO/c1-6(2)9-8(5)12-11(13)10(9)7(3)4/h6-7,9-10H,5H2,1-4H3,(H,12,13)
InChIKeyLEMMRCYPSWWQQH-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.17
Rot. Bonds2

About 5-methylidene-3,4-di(propan-2-yl)pyrrolidin-2-one

5-methylidene-3,4-di(propan-2-yl)pyrrolidin-2-one (PubChem CID 167693659) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 5-methylidene-3,4-di(propan-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-methylidene-3,4-di(propan-2-yl)pyrrolidin-2-one
PubChem CID167693659
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name5-methylidene-3,4-di(propan-2-yl)pyrrolidin-2-one
SMILESC=C1NC(=O)C(C(C)C)C1C(C)C
InChIInChI=1S/C11H19NO/c1-6(2)9-8(5)12-11(13)10(9)7(3)4/h6-7,9-10H,5H2,1-4H3,(H,12,13)
InChIKeyLEMMRCYPSWWQQH-UHFFFAOYSA-N
XLogP2.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methylidene-3,4-di(propan-2-yl)pyrrolidin-2-one?
The IUPAC name of 5-methylidene-3,4-di(propan-2-yl)pyrrolidin-2-one (CID 167693659) is 5-methylidene-3,4-di(propan-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 5-methylidene-3,4-di(propan-2-yl)pyrrolidin-2-one?
The canonical SMILES for 5-methylidene-3,4-di(propan-2-yl)pyrrolidin-2-one is C=C1NC(=O)C(C(C)C)C1C(C)C.
What is the InChIKey of 5-methylidene-3,4-di(propan-2-yl)pyrrolidin-2-one?
The InChIKey is LEMMRCYPSWWQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-6(2)9-8(5)12-11(13)10(9)7(3)4/h6-7,9-10H,5H2,1-4H3,(H,12,13).
What are the key properties of 5-methylidene-3,4-di(propan-2-yl)pyrrolidin-2-one?
5-methylidene-3,4-di(propan-2-yl)pyrrolidin-2-one has a molecular weight of 181.28 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-3,4-di(propan-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 167693659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).