2-[3-(hydroxymethyl)morpholin-4-yl]acetonitrile

C7H12N2O2 — CID 83815490

IUPAC2-[3-(hydroxymethyl)morpholin-4-yl]acetonitrile
SMILESN#CCN1CCOCC1CO
InChIInChI=1S/C7H12N2O2/c8-1-2-9-3-4-11-6-7(9)5-10/h7,10H,2-6H2
InChIKeyMNQWXVWNMQWETD-UHFFFAOYSA-N
MW156.18 g/mol
LogP-0.80
Rot. Bonds2

About 2-[3-(hydroxymethyl)morpholin-4-yl]acetonitrile

2-[3-(hydroxymethyl)morpholin-4-yl]acetonitrile (PubChem CID 83815490) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is 2-[3-(hydroxymethyl)morpholin-4-yl]acetonitrile.

Molecular Properties

Compound Name2-[3-(hydroxymethyl)morpholin-4-yl]acetonitrile
PubChem CID83815490
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name2-[3-(hydroxymethyl)morpholin-4-yl]acetonitrile
SMILESN#CCN1CCOCC1CO
InChIInChI=1S/C7H12N2O2/c8-1-2-9-3-4-11-6-7(9)5-10/h7,10H,2-6H2
InChIKeyMNQWXVWNMQWETD-UHFFFAOYSA-N
XLogP-0.80
TPSA56.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 5-0.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

Analyze 2-[3-(hydroxymethyl)morpholin-4-yl]acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(hydroxymethyl)morpholin-4-yl]ethanol
CID 83815724
[4-(sulfanylmethyl)morpholin-3-yl]methanol
CID 139499999
4-(cyanomethyl)morpholine-3-carboxamide
CID 83092724
6-[3-(hydroxymethyl)morpholin-4-yl]-2,2-dimethylhexanenitrile
CID 106710137
[4-[2-(methylamino)ethyl]morpholin-3-yl]methanol
CID 83816538
[(3S)-4-methylmorpholin-3-yl]methanol
CID 58666450
[4-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)morpholin-3-yl]methanol
CID 83821157
3-(hydroxymethyl)morpholine-4-carbaldehyde
CID 87595725
[(3R)-4-[(4-methoxyphenyl)methyl]morpholin-3-yl]methanol
CID 163376784
[4-[(2Z)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienyl]morpholin-3-yl]methanol
CID 144552538
[4-[2-(1-methylpyrazol-4-yl)ethyl]morpholin-3-yl]methanol
CID 104877516
(4-methylsulfinylmorpholin-3-yl)methanol
CID 127006204

Frequently Asked Questions

What is the IUPAC name of 2-[3-(hydroxymethyl)morpholin-4-yl]acetonitrile?
The IUPAC name of 2-[3-(hydroxymethyl)morpholin-4-yl]acetonitrile (CID 83815490) is 2-[3-(hydroxymethyl)morpholin-4-yl]acetonitrile.
What is the SMILES notation for 2-[3-(hydroxymethyl)morpholin-4-yl]acetonitrile?
The canonical SMILES for 2-[3-(hydroxymethyl)morpholin-4-yl]acetonitrile is N#CCN1CCOCC1CO.
What is the InChIKey of 2-[3-(hydroxymethyl)morpholin-4-yl]acetonitrile?
The InChIKey is MNQWXVWNMQWETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c8-1-2-9-3-4-11-6-7(9)5-10/h7,10H,2-6H2.
What are the key properties of 2-[3-(hydroxymethyl)morpholin-4-yl]acetonitrile?
2-[3-(hydroxymethyl)morpholin-4-yl]acetonitrile has a molecular weight of 156.18 g/mol, XLogP of -0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(hydroxymethyl)morpholin-4-yl]acetonitrile is sourced from PubChem (CID 83815490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).