2-ethyl-1,3-oxazolidine-4-carbonitrile

C6H10N2O — CID 143027546

IUPAC2-ethyl-1,3-oxazolidine-4-carbonitrile
SMILESCCC1NC(C#N)CO1
InChIInChI=1S/C6H10N2O/c1-2-6-8-5(3-7)4-9-6/h5-6,8H,2,4H2,1H3
InChIKeyNRBHMYDSGCNOTI-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.23
Rot. Bonds1

About 2-ethyl-1,3-oxazolidine-4-carbonitrile

2-ethyl-1,3-oxazolidine-4-carbonitrile (PubChem CID 143027546) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 2-ethyl-1,3-oxazolidine-4-carbonitrile.

Molecular Properties

Compound Name2-ethyl-1,3-oxazolidine-4-carbonitrile
PubChem CID143027546
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name2-ethyl-1,3-oxazolidine-4-carbonitrile
SMILESCCC1NC(C#N)CO1
InChIInChI=1S/C6H10N2O/c1-2-6-8-5(3-7)4-9-6/h5-6,8H,2,4H2,1H3
InChIKeyNRBHMYDSGCNOTI-UHFFFAOYSA-N
XLogP0.23
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethylpiperidine-2-carbonitrile
CID 56972748
(4R)-4-ethyl-2-pentyl-1,3-oxazolidine
CID 10607282
4-methyl-2-propyl-1,3-oxazolidine;hydrochloride
CID 117228385
6,6-dimethylmorpholine-3-carbonitrile
CID 82418197
tetrakis(2-ethyloxirane);methane
CID 162010408
(3R)-3-ethylcyclopentane-1-carbonitrile
CID 178017257
(2S)-2-methyl-1,3-thiazolidine-4-carbonitrile
CID 155003833
3-ethylpiperidine-4-carbonitrile
CID 121200011
3,5-diethylcyclopentane-1,2-dicarbonitrile
CID 170203759
(5R,6S)-5-ethyl-2,3-dimethyl-1,4-oxazepan-6-ol
CID 131977898
2-propyl-4-tridecyl-1,3-oxazolidine
CID 66910843
(2S)-2-ethyl-4-methyl-1,3-dioxolane
CID 59047916

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,3-oxazolidine-4-carbonitrile?
The IUPAC name of 2-ethyl-1,3-oxazolidine-4-carbonitrile (CID 143027546) is 2-ethyl-1,3-oxazolidine-4-carbonitrile.
What is the SMILES notation for 2-ethyl-1,3-oxazolidine-4-carbonitrile?
The canonical SMILES for 2-ethyl-1,3-oxazolidine-4-carbonitrile is CCC1NC(C#N)CO1.
What is the InChIKey of 2-ethyl-1,3-oxazolidine-4-carbonitrile?
The InChIKey is NRBHMYDSGCNOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-2-6-8-5(3-7)4-9-6/h5-6,8H,2,4H2,1H3.
What are the key properties of 2-ethyl-1,3-oxazolidine-4-carbonitrile?
2-ethyl-1,3-oxazolidine-4-carbonitrile has a molecular weight of 126.16 g/mol, XLogP of 0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,3-oxazolidine-4-carbonitrile is sourced from PubChem (CID 143027546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).