3-(2-morpholin-3-ylacetyl)benzonitrile

C13H14N2O2 — CID 81467194

IUPAC3-(2-morpholin-3-ylacetyl)benzonitrile
SMILESN#Cc1cccc(C(=O)CC2COCCN2)c1
InChIInChI=1S/C13H14N2O2/c14-8-10-2-1-3-11(6-10)13(16)7-12-9-17-5-4-15-12/h1-3,6,12,15H,4-5,7,9H2
InChIKeyFDSVFAZEGJIOLA-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.12
Rot. Bonds3

About 3-(2-morpholin-3-ylacetyl)benzonitrile

3-(2-morpholin-3-ylacetyl)benzonitrile (PubChem CID 81467194) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 3-(2-morpholin-3-ylacetyl)benzonitrile.

Molecular Properties

Compound Name3-(2-morpholin-3-ylacetyl)benzonitrile
PubChem CID81467194
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name3-(2-morpholin-3-ylacetyl)benzonitrile
SMILESN#Cc1cccc(C(=O)CC2COCCN2)c1
InChIInChI=1S/C13H14N2O2/c14-8-10-2-1-3-11(6-10)13(16)7-12-9-17-5-4-15-12/h1-3,6,12,15H,4-5,7,9H2
InChIKeyFDSVFAZEGJIOLA-UHFFFAOYSA-N
XLogP1.12
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3R)-morpholin-3-yl]-1-phenylethanone
CID 95396636
2-morpholin-3-yl-1-phenylethanone
CID 14753828
3-[2-(4-ethylpiperidin-2-yl)acetyl]benzonitrile
CID 114425849
2-morpholin-3-yl-1-pyridin-3-ylethanone
CID 115777328
1-(2-methyl-3H-benzimidazol-5-yl)-2-morpholin-3-ylethanone
CID 116919914
1-(6-methoxynaphthalen-2-yl)-2-morpholin-3-ylethanone
CID 81469263
1-(5-methylthiophen-3-yl)-2-morpholin-3-ylethanone
CID 116595850
3-(2-cyanoacetyl)benzonitrile
CID 23423882
1-(4-ethoxy-3-fluorophenyl)-2-morpholin-3-ylethanone
CID 116919897
N-(2-cyano-6-methoxyphenyl)-2-morpholin-3-ylacetamide
CID 107467862
1-(2,4-difluorophenyl)-2-morpholin-3-ylethanone
CID 81465797
1-(2,5-difluorophenyl)-2-morpholin-3-ylethanone
CID 81466302

Frequently Asked Questions

What is the IUPAC name of 3-(2-morpholin-3-ylacetyl)benzonitrile?
The IUPAC name of 3-(2-morpholin-3-ylacetyl)benzonitrile (CID 81467194) is 3-(2-morpholin-3-ylacetyl)benzonitrile.
What is the SMILES notation for 3-(2-morpholin-3-ylacetyl)benzonitrile?
The canonical SMILES for 3-(2-morpholin-3-ylacetyl)benzonitrile is N#Cc1cccc(C(=O)CC2COCCN2)c1.
What is the InChIKey of 3-(2-morpholin-3-ylacetyl)benzonitrile?
The InChIKey is FDSVFAZEGJIOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c14-8-10-2-1-3-11(6-10)13(16)7-12-9-17-5-4-15-12/h1-3,6,12,15H,4-5,7,9H2.
What are the key properties of 3-(2-morpholin-3-ylacetyl)benzonitrile?
3-(2-morpholin-3-ylacetyl)benzonitrile has a molecular weight of 230.27 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-morpholin-3-ylacetyl)benzonitrile is sourced from PubChem (CID 81467194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).