4-[3-(methylamino)propanoyl]morpholine-2-carbonitrile

C9H15N3O2 — CID 79674939

IUPAC4-[3-(methylamino)propanoyl]morpholine-2-carbonitrile
SMILESCNCCC(=O)N1CCOC(C#N)C1
InChIInChI=1S/C9H15N3O2/c1-11-3-2-9(13)12-4-5-14-8(6-10)7-12/h8,11H,2-5,7H2,1H3
InChIKeyDJZIOABTJZTVIF-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.65
Rot. Bonds3

About 4-[3-(methylamino)propanoyl]morpholine-2-carbonitrile

4-[3-(methylamino)propanoyl]morpholine-2-carbonitrile (PubChem CID 79674939) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 4-[3-(methylamino)propanoyl]morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-[3-(methylamino)propanoyl]morpholine-2-carbonitrile
PubChem CID79674939
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name4-[3-(methylamino)propanoyl]morpholine-2-carbonitrile
SMILESCNCCC(=O)N1CCOC(C#N)C1
InChIInChI=1S/C9H15N3O2/c1-11-3-2-9(13)12-4-5-14-8(6-10)7-12/h8,11H,2-5,7H2,1H3
InChIKeyDJZIOABTJZTVIF-UHFFFAOYSA-N
XLogP-0.65
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[3-(methylamino)propanoyl]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

4-(3-cyclopentylpropanoyl)morpholine-2-carbonitrile
CID 78945630
4-[2-(tert-butylamino)acetyl]morpholine-2-carbonitrile
CID 78945675
4-[3-(oxan-2-yl)propanoyl]morpholine-2-carbonitrile
CID 78954933
5-(2-cyanomorpholin-4-yl)-3-methyl-5-oxopentanoic acid
CID 79674093
2-cyano-N-propan-2-ylmorpholine-4-carboxamide
CID 78946088
3-(methylamino)-1-(2-methyl-1,4-oxazepan-4-yl)propan-1-one
CID 62973098
N-tert-butyl-2-cyanomorpholine-4-carboxamide
CID 79674612
4-(3-piperidin-4-yloxypropanoyl)morpholine-2-carbonitrile
CID 79674139
4-(2-piperidin-4-ylacetyl)morpholine-2-carbonitrile
CID 79674503
4-[2-(thian-4-yl)acetyl]morpholine-2-carbonitrile
CID 80709671
4-[(2-cyanomorpholine-4-carbonyl)amino]-2-methylbutanoic acid
CID 80541016
4-(2-cyanopropanoyl)morpholine-2-carbonitrile
CID 78996355

Frequently Asked Questions

What is the IUPAC name of 4-[3-(methylamino)propanoyl]morpholine-2-carbonitrile?
The IUPAC name of 4-[3-(methylamino)propanoyl]morpholine-2-carbonitrile (CID 79674939) is 4-[3-(methylamino)propanoyl]morpholine-2-carbonitrile.
What is the SMILES notation for 4-[3-(methylamino)propanoyl]morpholine-2-carbonitrile?
The canonical SMILES for 4-[3-(methylamino)propanoyl]morpholine-2-carbonitrile is CNCCC(=O)N1CCOC(C#N)C1.
What is the InChIKey of 4-[3-(methylamino)propanoyl]morpholine-2-carbonitrile?
The InChIKey is DJZIOABTJZTVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-11-3-2-9(13)12-4-5-14-8(6-10)7-12/h8,11H,2-5,7H2,1H3.
What are the key properties of 4-[3-(methylamino)propanoyl]morpholine-2-carbonitrile?
4-[3-(methylamino)propanoyl]morpholine-2-carbonitrile has a molecular weight of 197.24 g/mol, XLogP of -0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methylamino)propanoyl]morpholine-2-carbonitrile is sourced from PubChem (CID 79674939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).