1-(4-morpholin-4-ylbenzoyl)pyrrole-3-carbonitrile

C16H15N3O2 — CID 91373755

IUPAC1-(4-morpholin-4-ylbenzoyl)pyrrole-3-carbonitrile
SMILESN#Cc1ccn(C(=O)c2ccc(N3CCOCC3)cc2)c1
InChIInChI=1S/C16H15N3O2/c17-11-13-5-6-19(12-13)16(20)14-1-3-15(4-2-14)18-7-9-21-10-8-18/h1-6,12H,7-10H2
InChIKeyPYTZZVPXSOPUMC-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.88
Rot. Bonds2

About 1-(4-morpholin-4-ylbenzoyl)pyrrole-3-carbonitrile

1-(4-morpholin-4-ylbenzoyl)pyrrole-3-carbonitrile (PubChem CID 91373755) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 1-(4-morpholin-4-ylbenzoyl)pyrrole-3-carbonitrile.

Molecular Properties

Compound Name1-(4-morpholin-4-ylbenzoyl)pyrrole-3-carbonitrile
PubChem CID91373755
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name1-(4-morpholin-4-ylbenzoyl)pyrrole-3-carbonitrile
SMILESN#Cc1ccn(C(=O)c2ccc(N3CCOCC3)cc2)c1
InChIInChI=1S/C16H15N3O2/c17-11-13-5-6-19(12-13)16(20)14-1-3-15(4-2-14)18-7-9-21-10-8-18/h1-6,12H,7-10H2
InChIKeyPYTZZVPXSOPUMC-UHFFFAOYSA-N
XLogP1.88
TPSA58.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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1-[4-[4-(4-morpholin-4-ylphenyl)piperazin-1-yl]phenyl]ethanone
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2-cyano-N-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]acetamide
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2-chloro-1-(4-morpholin-4-ylphenyl)ethanone
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1-(4-morpholin-4-ylphenyl)-3-[4-[3-(4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
CID 171481806
4-[4-[(E)-3-(4-morpholin-4-ylphenyl)but-2-en-2-yl]phenyl]morpholine
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(Z)-2-cyano-3-(4-cyanophenyl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide
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N-(4-cyano-3-morpholin-4-yl-1H-pyrazol-5-yl)-4-morpholin-4-ylbenzamide
CID 154877200
3-methyl-1-(4-morpholin-4-ylphenyl)but-2-en-1-one
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4-[4-(morpholin-4-ylmethyl)benzoyl]benzonitrile
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Frequently Asked Questions

What is the IUPAC name of 1-(4-morpholin-4-ylbenzoyl)pyrrole-3-carbonitrile?
The IUPAC name of 1-(4-morpholin-4-ylbenzoyl)pyrrole-3-carbonitrile (CID 91373755) is 1-(4-morpholin-4-ylbenzoyl)pyrrole-3-carbonitrile.
What is the SMILES notation for 1-(4-morpholin-4-ylbenzoyl)pyrrole-3-carbonitrile?
The canonical SMILES for 1-(4-morpholin-4-ylbenzoyl)pyrrole-3-carbonitrile is N#Cc1ccn(C(=O)c2ccc(N3CCOCC3)cc2)c1.
What is the InChIKey of 1-(4-morpholin-4-ylbenzoyl)pyrrole-3-carbonitrile?
The InChIKey is PYTZZVPXSOPUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c17-11-13-5-6-19(12-13)16(20)14-1-3-15(4-2-14)18-7-9-21-10-8-18/h1-6,12H,7-10H2.
What are the key properties of 1-(4-morpholin-4-ylbenzoyl)pyrrole-3-carbonitrile?
1-(4-morpholin-4-ylbenzoyl)pyrrole-3-carbonitrile has a molecular weight of 281.32 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-morpholin-4-ylbenzoyl)pyrrole-3-carbonitrile is sourced from PubChem (CID 91373755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).