acetonitrile;5-ethyloxolan-2-one

C8H13NO2 — CID 174800937

IUPACacetonitrile;5-ethyloxolan-2-one
SMILESCC#N.CCC1CCC(=O)O1
InChIInChI=1S/C6H10O2.C2H3N/c1-2-5-3-4-6(7)8-5;1-2-3/h5H,2-4H2,1H3;1H3
InChIKeyOABKTWFKYXSDMY-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.63
Rot. Bonds1

About acetonitrile;5-ethyloxolan-2-one

acetonitrile;5-ethyloxolan-2-one (PubChem CID 174800937) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is acetonitrile;5-ethyloxolan-2-one.

Molecular Properties

Compound Nameacetonitrile;5-ethyloxolan-2-one
PubChem CID174800937
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Nameacetonitrile;5-ethyloxolan-2-one
SMILESCC#N.CCC1CCC(=O)O1
InChIInChI=1S/C6H10O2.C2H3N/c1-2-5-3-4-6(7)8-5;1-2-3/h5H,2-4H2,1H3;1H3
InChIKeyOABKTWFKYXSDMY-UHFFFAOYSA-N
XLogP1.63
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethylcyclopropane;5-ethyloxolan-2-one;methane
CID 158681141
(9R)-9-ethyloxonan-2-one
CID 54340758
16-ethyl-oxacyclohexadecan-2-one
CID 71324140
(5R)-5-butyloxolan-2-one
CID 7057971
ethane;5-(hydroxymethyl)oxolan-2-one
CID 142985862
4,8-diethyl-1,5-dioxocane-2,6-dione
CID 171057524
5-(hydroxymethyl)oxolan-2-one
CID 158931038
(5S)-5-(sulfanylmethyl)oxolan-2-one
CID 59949087
(5S)-5-tridecyloxolan-2-one
CID 11065462
(5S)-5-(2-methylsulfonylethyl)oxolan-2-one
CID 134163414
5-octyloxolan-2-one
CID 16821
(5S)-5-pentacosyloxolan-2-one
CID 11102176

Frequently Asked Questions

What is the IUPAC name of acetonitrile;5-ethyloxolan-2-one?
The IUPAC name of acetonitrile;5-ethyloxolan-2-one (CID 174800937) is acetonitrile;5-ethyloxolan-2-one.
What is the SMILES notation for acetonitrile;5-ethyloxolan-2-one?
The canonical SMILES for acetonitrile;5-ethyloxolan-2-one is CC#N.CCC1CCC(=O)O1.
What is the InChIKey of acetonitrile;5-ethyloxolan-2-one?
The InChIKey is OABKTWFKYXSDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2.C2H3N/c1-2-5-3-4-6(7)8-5;1-2-3/h5H,2-4H2,1H3;1H3.
What are the key properties of acetonitrile;5-ethyloxolan-2-one?
acetonitrile;5-ethyloxolan-2-one has a molecular weight of 155.20 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;5-ethyloxolan-2-one is sourced from PubChem (CID 174800937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).