3,4-dihydropyrrol-2-one;ethane

C6H11NO — CID 123629012

IUPAC3,4-dihydropyrrol-2-one;ethane
SMILESCC.O=C1CCC=N1
InChIInChI=1S/C4H5NO.C2H6/c6-4-2-1-3-5-4;1-2/h3H,1-2H2;1-2H3
InChIKeyPWVCWQIQMABWJS-UHFFFAOYSA-N
MW113.16 g/mol
LogP1.40
Rot. Bonds

About 3,4-dihydropyrrol-2-one;ethane

3,4-dihydropyrrol-2-one;ethane (PubChem CID 123629012) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 3,4-dihydropyrrol-2-one;ethane.

Molecular Properties

Compound Name3,4-dihydropyrrol-2-one;ethane
PubChem CID123629012
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name3,4-dihydropyrrol-2-one;ethane
SMILESCC.O=C1CCC=N1
InChIInChI=1S/C4H5NO.C2H6/c6-4-2-1-3-5-4;1-2/h3H,1-2H2;1-2H3
InChIKeyPWVCWQIQMABWJS-UHFFFAOYSA-N
XLogP1.40
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2H-Pyrrol-2-one, 3,4-dihydro-
CID 12202098
3,4-Dihydropyrrol-2-one;hydrate
CID 12202099
N-ethylidene-2-methylbutanamide
CID 20716715
N-propylidenecyclopropanecarboxamide
CID 57263406
N-propylidenepropanamide
CID 59964212
N-ethylidenebutanamide
CID 89371556
N-ethylidenepentanamide
CID 89981079
N-propylideneacetamide
CID 90854832
N-ethylidenepropanamide
CID 123229880
4,5-dihydro-3H-pyridin-2-one;ethane
CID 123233041
3,4-Dihydropyrrol-2-one;hydrochloride
CID 140333124
4,4-dimethyl-3H-pyrrol-5-one
CID 141265281

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydropyrrol-2-one;ethane?
The IUPAC name of 3,4-dihydropyrrol-2-one;ethane (CID 123629012) is 3,4-dihydropyrrol-2-one;ethane.
What is the SMILES notation for 3,4-dihydropyrrol-2-one;ethane?
The canonical SMILES for 3,4-dihydropyrrol-2-one;ethane is CC.O=C1CCC=N1.
What is the InChIKey of 3,4-dihydropyrrol-2-one;ethane?
The InChIKey is PWVCWQIQMABWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO.C2H6/c6-4-2-1-3-5-4;1-2/h3H,1-2H2;1-2H3.
What are the key properties of 3,4-dihydropyrrol-2-one;ethane?
3,4-dihydropyrrol-2-one;ethane has a molecular weight of 113.16 g/mol, XLogP of 1.40, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydropyrrol-2-one;ethane is sourced from PubChem (CID 123629012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).