4-(3-cyanopropyl)morpholine-3-carboxamide

C9H15N3O2 — CID 83093014

IUPAC4-(3-cyanopropyl)morpholine-3-carboxamide
SMILESN#CCCCN1CCOCC1C(N)=O
InChIInChI=1S/C9H15N3O2/c10-3-1-2-4-12-5-6-14-7-8(12)9(11)13/h8H,1-2,4-7H2,(H2,11,13)
InChIKeyZAOJVWAOSGGJRY-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.52
Rot. Bonds4

About 4-(3-cyanopropyl)morpholine-3-carboxamide

4-(3-cyanopropyl)morpholine-3-carboxamide (PubChem CID 83093014) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 4-(3-cyanopropyl)morpholine-3-carboxamide.

Molecular Properties

Compound Name4-(3-cyanopropyl)morpholine-3-carboxamide
PubChem CID83093014
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name4-(3-cyanopropyl)morpholine-3-carboxamide
SMILESN#CCCCN1CCOCC1C(N)=O
InChIInChI=1S/C9H15N3O2/c10-3-1-2-4-12-5-6-14-7-8(12)9(11)13/h8H,1-2,4-7H2,(H2,11,13)
InChIKeyZAOJVWAOSGGJRY-UHFFFAOYSA-N
XLogP-0.52
TPSA79.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(cyanomethyl)morpholine-3-carboxamide
CID 83092724
4-hexylmorpholine-3-carboxamide
CID 174697838
4-(2-methoxyethyl)morpholine-3-carboxamide
CID 129061483
methyl (3R)-4-(2-cyanoethyl)morpholine-3-carboxylate
CID 97300104
4-[3-(3-aminopyrazol-1-yl)propyl]morpholine-3-carboxamide
CID 83102233
3-(3-carbamoylmorpholin-4-yl)-2-hydroxy-2-methylpropanoic acid
CID 83096482
4-[2-(4-cyanophenyl)-2-oxoethyl]morpholine-3-carboxamide
CID 83095631
4-[(2-cyanophenyl)methyl]morpholine-3-carboxamide
CID 83092917
4-[2-oxo-2-(oxolan-3-yl)ethyl]morpholine-3-carboxamide
CID 104751036
4-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]morpholine-3-carboxamide
CID 83095437
4-[(3-methylcyclobutyl)methyl]morpholine-3-carboxamide
CID 123511667
4-[3-[4-(chloromethyl)-1,3-thiazol-2-yl]propyl]morpholine-3-carboxamide
CID 83096261

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyanopropyl)morpholine-3-carboxamide?
The IUPAC name of 4-(3-cyanopropyl)morpholine-3-carboxamide (CID 83093014) is 4-(3-cyanopropyl)morpholine-3-carboxamide.
What is the SMILES notation for 4-(3-cyanopropyl)morpholine-3-carboxamide?
The canonical SMILES for 4-(3-cyanopropyl)morpholine-3-carboxamide is N#CCCCN1CCOCC1C(N)=O.
What is the InChIKey of 4-(3-cyanopropyl)morpholine-3-carboxamide?
The InChIKey is ZAOJVWAOSGGJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c10-3-1-2-4-12-5-6-14-7-8(12)9(11)13/h8H,1-2,4-7H2,(H2,11,13).
What are the key properties of 4-(3-cyanopropyl)morpholine-3-carboxamide?
4-(3-cyanopropyl)morpholine-3-carboxamide has a molecular weight of 197.24 g/mol, XLogP of -0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyanopropyl)morpholine-3-carboxamide is sourced from PubChem (CID 83093014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).