1-(2-hydroxyethyl)-3-methylazetidine-3-carbonitrile

C7H12N2O — CID 130679378

IUPAC1-(2-hydroxyethyl)-3-methylazetidine-3-carbonitrile
SMILESCC1(C#N)CN(CCO)C1
InChIInChI=1S/C7H12N2O/c1-7(4-8)5-9(6-7)2-3-10/h10H,2-3,5-6H2,1H3
InChIKeyMCGAUOVHPBJQQF-UHFFFAOYSA-N
MW140.19 g/mol
LogP-0.18
Rot. Bonds2

About 1-(2-hydroxyethyl)-3-methylazetidine-3-carbonitrile

1-(2-hydroxyethyl)-3-methylazetidine-3-carbonitrile (PubChem CID 130679378) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-methylazetidine-3-carbonitrile.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-methylazetidine-3-carbonitrile
PubChem CID130679378
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name1-(2-hydroxyethyl)-3-methylazetidine-3-carbonitrile
SMILESCC1(C#N)CN(CCO)C1
InChIInChI=1S/C7H12N2O/c1-7(4-8)5-9(6-7)2-3-10/h10H,2-3,5-6H2,1H3
InChIKeyMCGAUOVHPBJQQF-UHFFFAOYSA-N
XLogP-0.18
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Cyanoethyl-(2-hydroxyethyl)-dimethylazanium
CID 56363
2-Cyanoethyl-2-hydroxyethylmethylamine
CID 11309517
3-[Ethyl(2-hydroxyethyl)amino]propanenitrile
CID 39161561
2-(3-Hydroxyazetidin-1-YL)acetonitrile
CID 53403600
3-(3-Hydroxyazetidin-1-yl)propanenitrile
CID 63281995
3-(3-Hydroxyazetidin-1-yl)-2-methylpropanenitrile
CID 63282293
3,3-dimethyl-1-Azetidineethanol
CID 77230182
2-[1-(2-Hydroxyethyl)azetidin-3-yl]acetonitrile
CID 153305175
3-(Hydroxymethyl)-1-methylazetidine-3-carbonitrile
CID 166914903
3-[2-Hydroxyethyl(methyl)amino]-2-methylpropanenitrile
CID 60649538
2-(3-Hydroxyazetidin-1-yl)propanenitrile
CID 63281991
3-(3-Hydroxy-3-methylazetidin-1-yl)propanenitrile
CID 65953382

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-methylazetidine-3-carbonitrile?
The IUPAC name of 1-(2-hydroxyethyl)-3-methylazetidine-3-carbonitrile (CID 130679378) is 1-(2-hydroxyethyl)-3-methylazetidine-3-carbonitrile.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-methylazetidine-3-carbonitrile?
The canonical SMILES for 1-(2-hydroxyethyl)-3-methylazetidine-3-carbonitrile is CC1(C#N)CN(CCO)C1.
What is the InChIKey of 1-(2-hydroxyethyl)-3-methylazetidine-3-carbonitrile?
The InChIKey is MCGAUOVHPBJQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-7(4-8)5-9(6-7)2-3-10/h10H,2-3,5-6H2,1H3.
What are the key properties of 1-(2-hydroxyethyl)-3-methylazetidine-3-carbonitrile?
1-(2-hydroxyethyl)-3-methylazetidine-3-carbonitrile has a molecular weight of 140.19 g/mol, XLogP of -0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-methylazetidine-3-carbonitrile is sourced from PubChem (CID 130679378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).