2-(2-methyloxolan-2-yl)acetonitrile

C7H11NO — CID 126983945

IUPAC2-(2-methyloxolan-2-yl)acetonitrile
SMILESCC1(CC#N)CCCO1
InChIInChI=1S/C7H11NO/c1-7(4-5-8)3-2-6-9-7/h2-4,6H2,1H3
InChIKeyQKOHCMUZYNHUOO-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.47
Rot. Bonds1

About 2-(2-methyloxolan-2-yl)acetonitrile

2-(2-methyloxolan-2-yl)acetonitrile (PubChem CID 126983945) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 2-(2-methyloxolan-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(2-methyloxolan-2-yl)acetonitrile
PubChem CID126983945
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name2-(2-methyloxolan-2-yl)acetonitrile
SMILESCC1(CC#N)CCCO1
InChIInChI=1S/C7H11NO/c1-7(4-5-8)3-2-6-9-7/h2-4,6H2,1H3
InChIKeyQKOHCMUZYNHUOO-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyltetrahydrofuran-2-carbonitrile
CID 89197
1-Methoxycyclopentane-1-carbonitrile
CID 13272709
2,5,5-Trimethyl-2-cyanotetrahydrofurane
CID 12939288
2-(2,2-Dimethyloxolan-3-yl)acetonitrile
CID 13899846
3-(2-Methyloxolan-2-yl)propanenitrile
CID 14027492
5,5-Dimethyloxolane-3-carbonitrile
CID 13780561
2-Ethyloxolane-3-carbonitrile
CID 79369652
2-(Oxolan-2-yl)propanenitrile
CID 84064001
3-(Oxolan-3-yl)butanenitrile
CID 89453043
4-(2-Methyloxolan-2-yl)butanenitrile
CID 90869430
2-(5-Methyloxolan-3-yl)acetonitrile
CID 118541317
3-[(3S)-oxolan-3-yl]propanenitrile
CID 118572058

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyloxolan-2-yl)acetonitrile?
The IUPAC name of 2-(2-methyloxolan-2-yl)acetonitrile (CID 126983945) is 2-(2-methyloxolan-2-yl)acetonitrile.
What is the SMILES notation for 2-(2-methyloxolan-2-yl)acetonitrile?
The canonical SMILES for 2-(2-methyloxolan-2-yl)acetonitrile is CC1(CC#N)CCCO1.
What is the InChIKey of 2-(2-methyloxolan-2-yl)acetonitrile?
The InChIKey is QKOHCMUZYNHUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-7(4-5-8)3-2-6-9-7/h2-4,6H2,1H3.
What are the key properties of 2-(2-methyloxolan-2-yl)acetonitrile?
2-(2-methyloxolan-2-yl)acetonitrile has a molecular weight of 125.17 g/mol, XLogP of 1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyloxolan-2-yl)acetonitrile is sourced from PubChem (CID 126983945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).