1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]-3-methylcyclobutane-1-carbonitrile

C13H20N2O3 — CID 81202775

IUPAC1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]-3-methylcyclobutane-1-carbonitrile
SMILESCC1CC(C#N)(C(=O)N2CC(CO)OCC2C)C1
InChIInChI=1S/C13H20N2O3/c1-9-3-13(4-9,8-14)12(17)15-5-11(6-16)18-7-10(15)2/h9-11,16H,3-7H2,1-2H3
InChIKeyORCYBJNNWSJFSN-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.53
Rot. Bonds2

About 1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]-3-methylcyclobutane-1-carbonitrile

1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]-3-methylcyclobutane-1-carbonitrile (PubChem CID 81202775) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]-3-methylcyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]-3-methylcyclobutane-1-carbonitrile
PubChem CID81202775
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]-3-methylcyclobutane-1-carbonitrile
SMILESCC1CC(C#N)(C(=O)N2CC(CO)OCC2C)C1
InChIInChI=1S/C13H20N2O3/c1-9-3-13(4-9,8-14)12(17)15-5-11(6-16)18-7-10(15)2/h9-11,16H,3-7H2,1-2H3
InChIKeyORCYBJNNWSJFSN-UHFFFAOYSA-N
XLogP0.53
TPSA73.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]-3-methylcyclobutane-1-carbonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]-3-methylcyclobutane-1-carbonitrile?
The IUPAC name of 1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]-3-methylcyclobutane-1-carbonitrile (CID 81202775) is 1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]-3-methylcyclobutane-1-carbonitrile.
What is the SMILES notation for 1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]-3-methylcyclobutane-1-carbonitrile?
The canonical SMILES for 1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]-3-methylcyclobutane-1-carbonitrile is CC1CC(C#N)(C(=O)N2CC(CO)OCC2C)C1.
What is the InChIKey of 1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]-3-methylcyclobutane-1-carbonitrile?
The InChIKey is ORCYBJNNWSJFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-9-3-13(4-9,8-14)12(17)15-5-11(6-16)18-7-10(15)2/h9-11,16H,3-7H2,1-2H3.
What are the key properties of 1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]-3-methylcyclobutane-1-carbonitrile?
1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]-3-methylcyclobutane-1-carbonitrile has a molecular weight of 252.31 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]-3-methylcyclobutane-1-carbonitrile is sourced from PubChem (CID 81202775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).