(1-benzylpyrrol-3-yl)-phenylmethanone

C18H15NO — CID 134907398

IUPAC(1-benzylpyrrol-3-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1ccn(Cc2ccccc2)c1
InChIInChI=1S/C18H15NO/c20-18(16-9-5-2-6-10-16)17-11-12-19(14-17)13-15-7-3-1-4-8-15/h1-12,14H,13H2
InChIKeyOIMKWPZETLJCLJ-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.77
Rot. Bonds4

About (1-benzylpyrrol-3-yl)-phenylmethanone

(1-benzylpyrrol-3-yl)-phenylmethanone (PubChem CID 134907398) has the molecular formula C18H15NO and a molecular weight of 261.32 g/mol. Its IUPAC name is (1-benzylpyrrol-3-yl)-phenylmethanone.

Molecular Properties

Compound Name(1-benzylpyrrol-3-yl)-phenylmethanone
PubChem CID134907398
Molecular FormulaC18H15NO
Molecular Weight261.32 g/mol
Exact Mass261.12
IUPAC Name(1-benzylpyrrol-3-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1ccn(Cc2ccccc2)c1
InChIInChI=1S/C18H15NO/c20-18(16-9-5-2-6-10-16)17-11-12-19(14-17)13-15-7-3-1-4-8-15/h1-12,14H,13H2
InChIKeyOIMKWPZETLJCLJ-UHFFFAOYSA-N
XLogP3.77
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-[[3-(4-methylbenzoyl)pyrrol-1-yl]methyl]phenyl]sulfanylacetic acid
CID 71194677
diphenylmethanone
CID 3102
2-[3-[[3-(4-methylbenzoyl)pyrrol-1-yl]methyl]phenoxy]acetic acid
CID 71194675
1-[(4-ethenylphenyl)methyl]pyrrole-3-carboxylic acid
CID 121200079
tetrakis(carbonochloridic acid);diphenylmethanone
CID 173240243
4-[1-[(3-chlorophenyl)methyl]pyrrol-3-yl]-2,4-dioxobutanoic acid
CID 18363447
bromomethylbenzene;diphenylmethanone
CID 159613438
1-[(3-methoxyphenyl)methyl]pyrrole-3-carboxylic acid
CID 79103341
diphenylmethanone;gold
CID 174931146
bis(diphenylmethanone);dihydrochloride
CID 69107757
disodium;diphenylmethanone
CID 19380838
cobalt(2+);diphenylmethanone
CID 19033779

Frequently Asked Questions

What is the IUPAC name of (1-benzylpyrrol-3-yl)-phenylmethanone?
The IUPAC name of (1-benzylpyrrol-3-yl)-phenylmethanone (CID 134907398) is (1-benzylpyrrol-3-yl)-phenylmethanone.
What is the SMILES notation for (1-benzylpyrrol-3-yl)-phenylmethanone?
The canonical SMILES for (1-benzylpyrrol-3-yl)-phenylmethanone is O=C(c1ccccc1)c1ccn(Cc2ccccc2)c1.
What is the InChIKey of (1-benzylpyrrol-3-yl)-phenylmethanone?
The InChIKey is OIMKWPZETLJCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO/c20-18(16-9-5-2-6-10-16)17-11-12-19(14-17)13-15-7-3-1-4-8-15/h1-12,14H,13H2.
What are the key properties of (1-benzylpyrrol-3-yl)-phenylmethanone?
(1-benzylpyrrol-3-yl)-phenylmethanone has a molecular weight of 261.32 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylpyrrol-3-yl)-phenylmethanone is sourced from PubChem (CID 134907398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).