ethane;1-prop-1-en-2-ylpyrrolidin-2-one

C9H17NO — CID 91169396

IUPACethane;1-prop-1-en-2-ylpyrrolidin-2-one
SMILESC=C(C)N1CCCC1=O.CC
InChIInChI=1S/C7H11NO.C2H6/c1-6(2)8-5-3-4-7(8)9;1-2/h1,3-5H2,2H3;1-2H3
InChIKeyZYCVNBBPMLATJN-UHFFFAOYSA-N
MW155.24 g/mol
LogP2.17
Rot. Bonds1

About ethane;1-prop-1-en-2-ylpyrrolidin-2-one

ethane;1-prop-1-en-2-ylpyrrolidin-2-one (PubChem CID 91169396) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is ethane;1-prop-1-en-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Nameethane;1-prop-1-en-2-ylpyrrolidin-2-one
PubChem CID91169396
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Nameethane;1-prop-1-en-2-ylpyrrolidin-2-one
SMILESC=C(C)N1CCCC1=O.CC
InChIInChI=1S/C7H11NO.C2H6/c1-6(2)8-5-3-4-7(8)9;1-2/h1,3-5H2,2H3;1-2H3
InChIKeyZYCVNBBPMLATJN-UHFFFAOYSA-N
XLogP2.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Pyrrolidineacetonitrile, alpha-((dimethylamino)methylene)-2-oxo-
CID 6285032
1-(2-Methyl-1-propenyl)pyrrolidone
CID 13790896
But-1-ene;1-ethenylpyrrolidin-2-one
CID 67080053
2-Pyrrolidinone,1-(1E)-1-propenyl-(9CI)
CID 12487451
N-propenyl-pyrrolidone
CID 53680026
1-[(Z)-prop-1-enyl]pyrrolidin-2-one
CID 68138090
1-Ethenylpyrrolidin-2-one;prop-1-ene
CID 159087009
1-Prop-1-en-2-ylpyrrolidin-2-one
CID 13847892
1-[(E)-2-triethylgermylethenyl]pyrrolidin-2-one
CID 11694676
(2Z)-3-(dimethylamino)-2-(2-oxopyrrolidin-1-yl)prop-2-enenitrile
CID 16411851
3-(Dimethylamino)-2-(2-oxopyrrolidin-1-yl)prop-2-enenitrile
CID 5151094
1-(3-Methylbut-2-en-2-yl)pyrrolidin-2-one
CID 11159429

Frequently Asked Questions

What is the IUPAC name of ethane;1-prop-1-en-2-ylpyrrolidin-2-one?
The IUPAC name of ethane;1-prop-1-en-2-ylpyrrolidin-2-one (CID 91169396) is ethane;1-prop-1-en-2-ylpyrrolidin-2-one.
What is the SMILES notation for ethane;1-prop-1-en-2-ylpyrrolidin-2-one?
The canonical SMILES for ethane;1-prop-1-en-2-ylpyrrolidin-2-one is C=C(C)N1CCCC1=O.CC.
What is the InChIKey of ethane;1-prop-1-en-2-ylpyrrolidin-2-one?
The InChIKey is ZYCVNBBPMLATJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO.C2H6/c1-6(2)8-5-3-4-7(8)9;1-2/h1,3-5H2,2H3;1-2H3.
What are the key properties of ethane;1-prop-1-en-2-ylpyrrolidin-2-one?
ethane;1-prop-1-en-2-ylpyrrolidin-2-one has a molecular weight of 155.24 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-prop-1-en-2-ylpyrrolidin-2-one is sourced from PubChem (CID 91169396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).