2-[1-(2-hydroxyethyl)azetidin-3-yl]acetonitrile

C7H12N2O — CID 153305175

IUPAC2-[1-(2-hydroxyethyl)azetidin-3-yl]acetonitrile
SMILESN#CCC1CN(CCO)C1
InChIInChI=1S/C7H12N2O/c8-2-1-7-5-9(6-7)3-4-10/h7,10H,1,3-6H2
InChIKeyGFCAWBPDCGHDII-UHFFFAOYSA-N
MW140.19 g/mol
LogP-0.18
Rot. Bonds3

About 2-[1-(2-hydroxyethyl)azetidin-3-yl]acetonitrile

2-[1-(2-hydroxyethyl)azetidin-3-yl]acetonitrile (PubChem CID 153305175) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 2-[1-(2-hydroxyethyl)azetidin-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[1-(2-hydroxyethyl)azetidin-3-yl]acetonitrile
PubChem CID153305175
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name2-[1-(2-hydroxyethyl)azetidin-3-yl]acetonitrile
SMILESN#CCC1CN(CCO)C1
InChIInChI=1S/C7H12N2O/c8-2-1-7-5-9(6-7)3-4-10/h7,10H,1,3-6H2
InChIKeyGFCAWBPDCGHDII-UHFFFAOYSA-N
XLogP-0.18
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-hydroxyethyl)azetidin-3-yl]acetonitrile?
The IUPAC name of 2-[1-(2-hydroxyethyl)azetidin-3-yl]acetonitrile (CID 153305175) is 2-[1-(2-hydroxyethyl)azetidin-3-yl]acetonitrile.
What is the SMILES notation for 2-[1-(2-hydroxyethyl)azetidin-3-yl]acetonitrile?
The canonical SMILES for 2-[1-(2-hydroxyethyl)azetidin-3-yl]acetonitrile is N#CCC1CN(CCO)C1.
What is the InChIKey of 2-[1-(2-hydroxyethyl)azetidin-3-yl]acetonitrile?
The InChIKey is GFCAWBPDCGHDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c8-2-1-7-5-9(6-7)3-4-10/h7,10H,1,3-6H2.
What are the key properties of 2-[1-(2-hydroxyethyl)azetidin-3-yl]acetonitrile?
2-[1-(2-hydroxyethyl)azetidin-3-yl]acetonitrile has a molecular weight of 140.19 g/mol, XLogP of -0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-hydroxyethyl)azetidin-3-yl]acetonitrile is sourced from PubChem (CID 153305175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).