(1-methyl-4-phenylpyrrol-2-yl)-morpholin-4-ylmethanone

C16H18N2O2 — CID 53014172

IUPAC(1-methyl-4-phenylpyrrol-2-yl)-morpholin-4-ylmethanone
SMILESCn1cc(-c2ccccc2)cc1C(=O)N1CCOCC1
InChIInChI=1S/C16H18N2O2/c1-17-12-14(13-5-3-2-4-6-13)11-15(17)16(19)18-7-9-20-10-8-18/h2-6,11-12H,7-10H2,1H3
InChIKeyZGNYCEZYOGUOQW-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.16
Rot. Bonds2

About (1-methyl-4-phenylpyrrol-2-yl)-morpholin-4-ylmethanone

(1-methyl-4-phenylpyrrol-2-yl)-morpholin-4-ylmethanone (PubChem CID 53014172) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is (1-methyl-4-phenylpyrrol-2-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(1-methyl-4-phenylpyrrol-2-yl)-morpholin-4-ylmethanone
PubChem CID53014172
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name(1-methyl-4-phenylpyrrol-2-yl)-morpholin-4-ylmethanone
SMILESCn1cc(-c2ccccc2)cc1C(=O)N1CCOCC1
InChIInChI=1S/C16H18N2O2/c1-17-12-14(13-5-3-2-4-6-13)11-15(17)16(19)18-7-9-20-10-8-18/h2-6,11-12H,7-10H2,1H3
InChIKeyZGNYCEZYOGUOQW-UHFFFAOYSA-N
XLogP2.16
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-4-phenylpyrrol-2-yl)-morpholin-4-ylmethanone?
The IUPAC name of (1-methyl-4-phenylpyrrol-2-yl)-morpholin-4-ylmethanone (CID 53014172) is (1-methyl-4-phenylpyrrol-2-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (1-methyl-4-phenylpyrrol-2-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (1-methyl-4-phenylpyrrol-2-yl)-morpholin-4-ylmethanone is Cn1cc(-c2ccccc2)cc1C(=O)N1CCOCC1.
What is the InChIKey of (1-methyl-4-phenylpyrrol-2-yl)-morpholin-4-ylmethanone?
The InChIKey is ZGNYCEZYOGUOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-17-12-14(13-5-3-2-4-6-13)11-15(17)16(19)18-7-9-20-10-8-18/h2-6,11-12H,7-10H2,1H3.
What are the key properties of (1-methyl-4-phenylpyrrol-2-yl)-morpholin-4-ylmethanone?
(1-methyl-4-phenylpyrrol-2-yl)-morpholin-4-ylmethanone has a molecular weight of 270.33 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-4-phenylpyrrol-2-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 53014172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).