2-ethyloxolane-3-carbonitrile

C7H11NO — CID 79369652

IUPAC2-ethyloxolane-3-carbonitrile
SMILESCCC1OCCC1C#N
InChIInChI=1S/C7H11NO/c1-2-7-6(5-8)3-4-9-7/h6-7H,2-4H2,1H3
InChIKeyQRHAXPRWKWPRCI-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.33
Rot. Bonds1

About 2-ethyloxolane-3-carbonitrile

2-ethyloxolane-3-carbonitrile (PubChem CID 79369652) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 2-ethyloxolane-3-carbonitrile.

Molecular Properties

Compound Name2-ethyloxolane-3-carbonitrile
PubChem CID79369652
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name2-ethyloxolane-3-carbonitrile
SMILESCCC1OCCC1C#N
InChIInChI=1S/C7H11NO/c1-2-7-6(5-8)3-4-9-7/h6-7H,2-4H2,1H3
InChIKeyQRHAXPRWKWPRCI-UHFFFAOYSA-N
XLogP1.33
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,6S)-2,6-dimethyloxane-4-carbonitrile
CID 83904881
2-(2-Ethylhexyloxy)propionitrile
CID 3031188
2-[(2S,5S)-5-propan-2-yloxolan-2-yl]acetonitrile
CID 138979805
2-(2,2,2-Trifluoroethyl)oxolane-3-carbonitrile
CID 164653681
2-(2,2-Dimethyloxolan-3-yl)acetonitrile
CID 13899846
3-(2-Methyloxolan-2-yl)propanenitrile
CID 14027492
2-Cyclopentyl-2-methoxyacetonitrile
CID 66071942
2-Methyloxane-4-carbonitrile
CID 13197201
5-Methyloxane-2-carbonitrile
CID 13735581
5,5-Dimethyloxolane-3-carbonitrile
CID 13780561
(3R,4R,5S,6S)-4,5,6-trimethyloxane-3-carbonitrile
CID 57590943
2-[(1S,2S)-2-methylcyclopentyl]oxyacetonitrile
CID 59453895

Frequently Asked Questions

What is the IUPAC name of 2-ethyloxolane-3-carbonitrile?
The IUPAC name of 2-ethyloxolane-3-carbonitrile (CID 79369652) is 2-ethyloxolane-3-carbonitrile.
What is the SMILES notation for 2-ethyloxolane-3-carbonitrile?
The canonical SMILES for 2-ethyloxolane-3-carbonitrile is CCC1OCCC1C#N.
What is the InChIKey of 2-ethyloxolane-3-carbonitrile?
The InChIKey is QRHAXPRWKWPRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-2-7-6(5-8)3-4-9-7/h6-7H,2-4H2,1H3.
What are the key properties of 2-ethyloxolane-3-carbonitrile?
2-ethyloxolane-3-carbonitrile has a molecular weight of 125.17 g/mol, XLogP of 1.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyloxolane-3-carbonitrile is sourced from PubChem (CID 79369652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).