(5-benzoyl-1H-pyrrol-2-yl)-phenylmethanone

C18H13NO2 — CID 14043375

IUPAC(5-benzoyl-1H-pyrrol-2-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(C(=O)c2ccccc2)[nH]1
InChIInChI=1S/C18H13NO2/c20-17(13-7-3-1-4-8-13)15-11-12-16(19-15)18(21)14-9-5-2-6-10-14/h1-12,19H
InChIKeyKFSOAIOQXJYNHC-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.48
Rot. Bonds4

About (5-benzoyl-1H-pyrrol-2-yl)-phenylmethanone

(5-benzoyl-1H-pyrrol-2-yl)-phenylmethanone (PubChem CID 14043375) has the molecular formula C18H13NO2 and a molecular weight of 275.31 g/mol. Its IUPAC name is (5-benzoyl-1H-pyrrol-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(5-benzoyl-1H-pyrrol-2-yl)-phenylmethanone
PubChem CID14043375
Molecular FormulaC18H13NO2
Molecular Weight275.31 g/mol
Exact Mass275.09
IUPAC Name(5-benzoyl-1H-pyrrol-2-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(C(=O)c2ccccc2)[nH]1
InChIInChI=1S/C18H13NO2/c20-17(13-7-3-1-4-8-13)15-11-12-16(19-15)18(21)14-9-5-2-6-10-14/h1-12,19H
InChIKeyKFSOAIOQXJYNHC-UHFFFAOYSA-N
XLogP3.48
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-benzoyl-1H-pyrrol-2-yl)-phenylmethanone?
The IUPAC name of (5-benzoyl-1H-pyrrol-2-yl)-phenylmethanone (CID 14043375) is (5-benzoyl-1H-pyrrol-2-yl)-phenylmethanone.
What is the SMILES notation for (5-benzoyl-1H-pyrrol-2-yl)-phenylmethanone?
The canonical SMILES for (5-benzoyl-1H-pyrrol-2-yl)-phenylmethanone is O=C(c1ccccc1)c1ccc(C(=O)c2ccccc2)[nH]1.
What is the InChIKey of (5-benzoyl-1H-pyrrol-2-yl)-phenylmethanone?
The InChIKey is KFSOAIOQXJYNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO2/c20-17(13-7-3-1-4-8-13)15-11-12-16(19-15)18(21)14-9-5-2-6-10-14/h1-12,19H.
What are the key properties of (5-benzoyl-1H-pyrrol-2-yl)-phenylmethanone?
(5-benzoyl-1H-pyrrol-2-yl)-phenylmethanone has a molecular weight of 275.31 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-benzoyl-1H-pyrrol-2-yl)-phenylmethanone is sourced from PubChem (CID 14043375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).