3-(hydroxymethyl)-1-methylazetidine-3-carbonitrile

C6H10N2O — CID 166914903

IUPAC3-(hydroxymethyl)-1-methylazetidine-3-carbonitrile
SMILESCN1CC(C#N)(CO)C1
InChIInChI=1S/C6H10N2O/c1-8-3-6(2-7,4-8)5-9/h9H,3-5H2,1H3
InChIKeyOJNNXPIYHBSLBU-UHFFFAOYSA-N
MW126.16 g/mol
LogP-0.57
Rot. Bonds1

About 3-(hydroxymethyl)-1-methylazetidine-3-carbonitrile

3-(hydroxymethyl)-1-methylazetidine-3-carbonitrile (PubChem CID 166914903) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 3-(hydroxymethyl)-1-methylazetidine-3-carbonitrile.

Molecular Properties

Compound Name3-(hydroxymethyl)-1-methylazetidine-3-carbonitrile
PubChem CID166914903
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name3-(hydroxymethyl)-1-methylazetidine-3-carbonitrile
SMILESCN1CC(C#N)(CO)C1
InChIInChI=1S/C6H10N2O/c1-8-3-6(2-7,4-8)5-9/h9H,3-5H2,1H3
InChIKeyOJNNXPIYHBSLBU-UHFFFAOYSA-N
XLogP-0.57
TPSA47.26 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 ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-1-methylazetidine-3-carbonitrile?
The IUPAC name of 3-(hydroxymethyl)-1-methylazetidine-3-carbonitrile (CID 166914903) is 3-(hydroxymethyl)-1-methylazetidine-3-carbonitrile.
What is the SMILES notation for 3-(hydroxymethyl)-1-methylazetidine-3-carbonitrile?
The canonical SMILES for 3-(hydroxymethyl)-1-methylazetidine-3-carbonitrile is CN1CC(C#N)(CO)C1.
What is the InChIKey of 3-(hydroxymethyl)-1-methylazetidine-3-carbonitrile?
The InChIKey is OJNNXPIYHBSLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-8-3-6(2-7,4-8)5-9/h9H,3-5H2,1H3.
What are the key properties of 3-(hydroxymethyl)-1-methylazetidine-3-carbonitrile?
3-(hydroxymethyl)-1-methylazetidine-3-carbonitrile has a molecular weight of 126.16 g/mol, XLogP of -0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-1-methylazetidine-3-carbonitrile is sourced from PubChem (CID 166914903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).