3-[1-(dimethylamino)ethenyl]pyrrolidin-2-one

C8H14N2O — CID 70443363

IUPAC3-[1-(dimethylamino)ethenyl]pyrrolidin-2-one
SMILESC=C(C1CCNC1=O)N(C)C
InChIInChI=1S/C8H14N2O/c1-6(10(2)3)7-4-5-9-8(7)11/h7H,1,4-5H2,2-3H3,(H,9,11)
InChIKeyBXSWVBJSNFJCDS-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.20
Rot. Bonds2

About 3-[1-(dimethylamino)ethenyl]pyrrolidin-2-one

3-[1-(dimethylamino)ethenyl]pyrrolidin-2-one (PubChem CID 70443363) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 3-[1-(dimethylamino)ethenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-[1-(dimethylamino)ethenyl]pyrrolidin-2-one
PubChem CID70443363
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name3-[1-(dimethylamino)ethenyl]pyrrolidin-2-one
SMILESC=C(C1CCNC1=O)N(C)C
InChIInChI=1S/C8H14N2O/c1-6(10(2)3)7-4-5-9-8(7)11/h7H,1,4-5H2,2-3H3,(H,9,11)
InChIKeyBXSWVBJSNFJCDS-UHFFFAOYSA-N
XLogP0.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(dimethylamino)ethenyl]pyrrolidin-2-one?
The IUPAC name of 3-[1-(dimethylamino)ethenyl]pyrrolidin-2-one (CID 70443363) is 3-[1-(dimethylamino)ethenyl]pyrrolidin-2-one.
What is the SMILES notation for 3-[1-(dimethylamino)ethenyl]pyrrolidin-2-one?
The canonical SMILES for 3-[1-(dimethylamino)ethenyl]pyrrolidin-2-one is C=C(C1CCNC1=O)N(C)C.
What is the InChIKey of 3-[1-(dimethylamino)ethenyl]pyrrolidin-2-one?
The InChIKey is BXSWVBJSNFJCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-6(10(2)3)7-4-5-9-8(7)11/h7H,1,4-5H2,2-3H3,(H,9,11).
What are the key properties of 3-[1-(dimethylamino)ethenyl]pyrrolidin-2-one?
3-[1-(dimethylamino)ethenyl]pyrrolidin-2-one has a molecular weight of 154.21 g/mol, XLogP of 0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(dimethylamino)ethenyl]pyrrolidin-2-one is sourced from PubChem (CID 70443363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).