2-(morpholine-4-carbonyl)benzonitrile

C12H12N2O2 — CID 11378923

IUPAC2-(morpholine-4-carbonyl)benzonitrile
SMILESN#Cc1ccccc1C(=O)N1CCOCC1
InChIInChI=1S/C12H12N2O2/c13-9-10-3-1-2-4-11(10)12(15)14-5-7-16-8-6-14/h1-4H,5-8H2
InChIKeyHBZLTHLMGMZUSJ-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.03
Rot. Bonds1

About 2-(morpholine-4-carbonyl)benzonitrile

2-(morpholine-4-carbonyl)benzonitrile (PubChem CID 11378923) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-(morpholine-4-carbonyl)benzonitrile.

Molecular Properties

Compound Name2-(morpholine-4-carbonyl)benzonitrile
PubChem CID11378923
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name2-(morpholine-4-carbonyl)benzonitrile
SMILESN#Cc1ccccc1C(=O)N1CCOCC1
InChIInChI=1S/C12H12N2O2/c13-9-10-3-1-2-4-11(10)12(15)14-5-7-16-8-6-14/h1-4H,5-8H2
InChIKeyHBZLTHLMGMZUSJ-UHFFFAOYSA-N
XLogP1.03
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3S)-3-methylmorpholine-4-carbonyl]benzonitrile
CID 130179782
2-(morpholine-4-carbonyl)-N,N-diphenylbenzamide
CID 1217065
N-(2-cyanophenyl)-4-(morpholine-4-carbonyl)pyridine-2-carboxamide
CID 109082943
4-[[2-(morpholine-4-carbonyl)phenoxy]methyl]benzonitrile
CID 17465828
methyl 3-amino-4-cyano-1-[2-(morpholine-4-carbonyl)phenyl]pyrrole-2-carboxylate
CID 168546198
morpholin-4-yl(phenazin-1-yl)methanone
CID 3743226
2-[3-(morpholin-4-ylmethyl)benzoyl]benzonitrile
CID 24724674
1-(2-cyanobenzoyl)-3-methylpiperidine-3-carbonitrile
CID 90650999
2-[4-(morpholine-4-carbonyl)piperazin-1-yl]sulfonylbenzonitrile
CID 34665578
2-[4-(3-cyano-2-pyridinyl)piperazine-1-carbonyl]benzoic acid
CID 2812107
(2,3-dichlorophenyl)-morpholin-4-ylmethanone
CID 1247473
(2,3-diaminophenyl)-morpholin-4-ylmethanone
CID 54188281

Frequently Asked Questions

What is the IUPAC name of 2-(morpholine-4-carbonyl)benzonitrile?
The IUPAC name of 2-(morpholine-4-carbonyl)benzonitrile (CID 11378923) is 2-(morpholine-4-carbonyl)benzonitrile.
What is the SMILES notation for 2-(morpholine-4-carbonyl)benzonitrile?
The canonical SMILES for 2-(morpholine-4-carbonyl)benzonitrile is N#Cc1ccccc1C(=O)N1CCOCC1.
What is the InChIKey of 2-(morpholine-4-carbonyl)benzonitrile?
The InChIKey is HBZLTHLMGMZUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c13-9-10-3-1-2-4-11(10)12(15)14-5-7-16-8-6-14/h1-4H,5-8H2.
What are the key properties of 2-(morpholine-4-carbonyl)benzonitrile?
2-(morpholine-4-carbonyl)benzonitrile has a molecular weight of 216.24 g/mol, XLogP of 1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(morpholine-4-carbonyl)benzonitrile is sourced from PubChem (CID 11378923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).