4-(2-cyanopropan-2-yl)morpholine-2-carbonitrile

C9H13N3O — CID 126992515

IUPAC4-(2-cyanopropan-2-yl)morpholine-2-carbonitrile
SMILESCC(C)(C#N)N1CCOC(C#N)C1
InChIInChI=1S/C9H13N3O/c1-9(2,7-11)12-3-4-13-8(5-10)6-12/h8H,3-4,6H2,1-2H3
InChIKeySVJKIQYIFPNKFH-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.51
Rot. Bonds1

About 4-(2-cyanopropan-2-yl)morpholine-2-carbonitrile

4-(2-cyanopropan-2-yl)morpholine-2-carbonitrile (PubChem CID 126992515) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 4-(2-cyanopropan-2-yl)morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-(2-cyanopropan-2-yl)morpholine-2-carbonitrile
PubChem CID126992515
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name4-(2-cyanopropan-2-yl)morpholine-2-carbonitrile
SMILESCC(C)(C#N)N1CCOC(C#N)C1
InChIInChI=1S/C9H13N3O/c1-9(2,7-11)12-3-4-13-8(5-10)6-12/h8H,3-4,6H2,1-2H3
InChIKeySVJKIQYIFPNKFH-UHFFFAOYSA-N
XLogP0.51
TPSA60.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(2-cyanopropan-2-yl)morpholine-2-carbonitrile 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-methyl-2-[(2R)-2-methylmorpholin-4-yl]propanenitrile
CID 131160202
N-tert-butyl-2-cyanomorpholine-4-carboxamide
CID 79674612
4-(3-amino-2,2,3-trimethylbutanoyl)morpholine-2-carbonitrile
CID 79674055
4-[2-(tert-butylamino)acetyl]morpholine-2-carbonitrile
CID 78945675
4-[2-(bromomethyl)-2-propylpentyl]morpholine-2-carbonitrile
CID 79681104
4-but-2-ynylmorpholine-2-carbonitrile
CID 112734337
2-[(3R)-3-methoxypyrrolidin-1-yl]-2-methylpropanenitrile
CID 130667119
4-(2-fluoroethyl)morpholine-2-carbonitrile
CID 80601541
4-[(5-methyloxolan-2-yl)methyl]morpholine-2-carbonitrile
CID 103134228
4-[4-(methylamino)cyclohexyl]morpholine-2-carbonitrile
CID 114763454
2-(2-cyanomorpholin-4-yl)-N-(2-methylbutan-2-yl)acetamide
CID 78946382
4-(2,2-difluoroethyl)morpholine-2-carbonitrile
CID 78958703

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyanopropan-2-yl)morpholine-2-carbonitrile?
The IUPAC name of 4-(2-cyanopropan-2-yl)morpholine-2-carbonitrile (CID 126992515) is 4-(2-cyanopropan-2-yl)morpholine-2-carbonitrile.
What is the SMILES notation for 4-(2-cyanopropan-2-yl)morpholine-2-carbonitrile?
The canonical SMILES for 4-(2-cyanopropan-2-yl)morpholine-2-carbonitrile is CC(C)(C#N)N1CCOC(C#N)C1.
What is the InChIKey of 4-(2-cyanopropan-2-yl)morpholine-2-carbonitrile?
The InChIKey is SVJKIQYIFPNKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-9(2,7-11)12-3-4-13-8(5-10)6-12/h8H,3-4,6H2,1-2H3.
What are the key properties of 4-(2-cyanopropan-2-yl)morpholine-2-carbonitrile?
4-(2-cyanopropan-2-yl)morpholine-2-carbonitrile has a molecular weight of 179.22 g/mol, XLogP of 0.51, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyanopropan-2-yl)morpholine-2-carbonitrile is sourced from PubChem (CID 126992515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).