(3S)-1,3-diphenyl-3-(1H-pyrrol-2-yl)propan-1-one

C19H17NO — CID 102531736

IUPAC(3S)-1,3-diphenyl-3-(1H-pyrrol-2-yl)propan-1-one
SMILESO=C(C[C@@H](c1ccccc1)c1ccc[nH]1)c1ccccc1
InChIInChI=1S/C19H17NO/c21-19(16-10-5-2-6-11-16)14-17(18-12-7-13-20-18)15-8-3-1-4-9-15/h1-13,17,20H,14H2/t17-/m0/s1
InChIKeyLPLLHFVUCANPQW-KRWDZBQOSA-N
MW275.35 g/mol
LogP4.42
Rot. Bonds5

About (3S)-1,3-diphenyl-3-(1H-pyrrol-2-yl)propan-1-one

(3S)-1,3-diphenyl-3-(1H-pyrrol-2-yl)propan-1-one (PubChem CID 102531736) has the molecular formula C19H17NO and a molecular weight of 275.35 g/mol. Its IUPAC name is (3S)-1,3-diphenyl-3-(1H-pyrrol-2-yl)propan-1-one.

Molecular Properties

Compound Name(3S)-1,3-diphenyl-3-(1H-pyrrol-2-yl)propan-1-one
PubChem CID102531736
Molecular FormulaC19H17NO
Molecular Weight275.35 g/mol
Exact Mass275.13
IUPAC Name(3S)-1,3-diphenyl-3-(1H-pyrrol-2-yl)propan-1-one
SMILESO=C(C[C@@H](c1ccccc1)c1ccc[nH]1)c1ccccc1
InChIInChI=1S/C19H17NO/c21-19(16-10-5-2-6-11-16)14-17(18-12-7-13-20-18)15-8-3-1-4-9-15/h1-13,17,20H,14H2/t17-/m0/s1
InChIKeyLPLLHFVUCANPQW-KRWDZBQOSA-N
XLogP4.42
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-1-(4-chlorophenyl)-3-phenyl-3-(1H-pyrrol-2-yl)propan-1-one
CID 102531738
(3S)-3-(1H-indol-2-yl)-1,3-diphenylpropan-1-one
CID 50901499
(3R)-1,3-diphenyl-3-(4-phenylphenyl)propan-1-one
CID 86338470
benzhydryl 3-(4-hydroxyphenyl)-3-(1H-pyrrol-2-yl)propanoate
CID 57145205
(2S)-4-oxo-2,4-diphenylbutanoic acid
CID 6950859
2-phenyl-2-(1H-pyrrol-2-yl)acetamide
CID 172712190
(3R)-3-(3-hydroxyphenyl)-1,3-diphenylpropan-1-one
CID 102451950
3-(4-methoxyphenyl)-3-[5-[1-(4-methoxyphenyl)-3-oxo-3-phenylpropyl]-1H-pyrrol-2-yl]-1-phenylpropan-1-one
CID 102404117
3-phenacyl-1,5-diphenylpentane-1,5-dione
CID 10547136
5-hydroxy-1,3,5-triphenylpentan-1-one
CID 11727250
3,4-dimethyl-1-phenylpentan-1-one
CID 24976524
(3R)-1,3-diphenylpentane-1,4-dione
CID 90658388

Frequently Asked Questions

What is the IUPAC name of (3S)-1,3-diphenyl-3-(1H-pyrrol-2-yl)propan-1-one?
The IUPAC name of (3S)-1,3-diphenyl-3-(1H-pyrrol-2-yl)propan-1-one (CID 102531736) is (3S)-1,3-diphenyl-3-(1H-pyrrol-2-yl)propan-1-one.
What is the SMILES notation for (3S)-1,3-diphenyl-3-(1H-pyrrol-2-yl)propan-1-one?
The canonical SMILES for (3S)-1,3-diphenyl-3-(1H-pyrrol-2-yl)propan-1-one is O=C(C[C@@H](c1ccccc1)c1ccc[nH]1)c1ccccc1.
What is the InChIKey of (3S)-1,3-diphenyl-3-(1H-pyrrol-2-yl)propan-1-one?
The InChIKey is LPLLHFVUCANPQW-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H17NO/c21-19(16-10-5-2-6-11-16)14-17(18-12-7-13-20-18)15-8-3-1-4-9-15/h1-13,17,20H,14H2/t17-/m0/s1.
What are the key properties of (3S)-1,3-diphenyl-3-(1H-pyrrol-2-yl)propan-1-one?
(3S)-1,3-diphenyl-3-(1H-pyrrol-2-yl)propan-1-one has a molecular weight of 275.35 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1,3-diphenyl-3-(1H-pyrrol-2-yl)propan-1-one is sourced from PubChem (CID 102531736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).