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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Related Compounds

3,4-Dimethyl-5-methylidenepyrrolidin-2-one
CID 13795018
3-Methylidene-3a,4,7,7a-tetrahydroisoindol-1-one
CID 20734599
3-Tert-butyl-5-methylidenepyrrolidin-2-one
CID 57583356
5-Methylidene-4,4-di(propan-2-yl)pyrrolidin-2-one
CID 58238931
4-Decyl-5-methylidenepyrrolidin-2-one
CID 89358223
3-Methylidene-8-propan-2-yl-2-azaspiro[4.5]decan-1-one
CID 90296071
3-Ethyl-5-methylidenepyrrolidin-2-one
CID 123791700
3-[(E)-hex-2-enyl]-5-methylidenepyrrolidin-2-one
CID 124190191
1-Methyl-5-methylidene-3,4-di(propan-2-yl)pyrrolidin-2-one
CID 135296431
1-Tert-butyl-5-methylidene-4-propylpyrrolidin-2-one
CID 138630516
5,5-Dimethyl-3-prop-2-enylpyrrolidin-2-one
CID 139389114
(3R)-1-ethyl-5-methylidene-3-pentan-3-ylpyrrolidin-2-one
CID 139455843

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).