3-methyl-2-phenyl-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)pentan-1-one

C19H25NO — CID 63927480

IUPAC3-methyl-2-phenyl-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)pentan-1-one
SMILESCCC(C)C(C(=O)c1[nH]c(C)c(C)c1C)c1ccccc1
InChIInChI=1S/C19H25NO/c1-6-12(2)17(16-10-8-7-9-11-16)19(21)18-14(4)13(3)15(5)20-18/h7-12,17,20H,6H2,1-5H3
InChIKeyGJBGPZPEYDBAGN-UHFFFAOYSA-N
MW283.41 g/mol
LogP4.95
Rot. Bonds5

About 3-methyl-2-phenyl-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)pentan-1-one

3-methyl-2-phenyl-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)pentan-1-one (PubChem CID 63927480) has the molecular formula C19H25NO and a molecular weight of 283.41 g/mol. Its IUPAC name is 3-methyl-2-phenyl-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)pentan-1-one.

Molecular Properties

Compound Name3-methyl-2-phenyl-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)pentan-1-one
PubChem CID63927480
Molecular FormulaC19H25NO
Molecular Weight283.41 g/mol
Exact Mass283.19
IUPAC Name3-methyl-2-phenyl-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)pentan-1-one
SMILESCCC(C)C(C(=O)c1[nH]c(C)c(C)c1C)c1ccccc1
InChIInChI=1S/C19H25NO/c1-6-12(2)17(16-10-8-7-9-11-16)19(21)18-14(4)13(3)15(5)20-18/h7-12,17,20H,6H2,1-5H3
InChIKeyGJBGPZPEYDBAGN-UHFFFAOYSA-N
XLogP4.95
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-phenyl-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)propan-1-one
CID 114028759
[(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] (2S,3S)-3-methyl-2-phenylpentanoate
CID 8886155
[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] (2R,3S)-3-methyl-2-phenylpentanoate
CID 7772273
3-methyl-2-phenyl-1-(1H-pyrrol-2-yl)pentan-1-one
CID 63750151
1-(3,5-dimethylthiophen-2-yl)-3-methyl-2-phenylpentan-1-one
CID 81156104
1-(2,3-dihydrofuran-5-yl)-3-methyl-2-phenylpentan-1-one
CID 102652750
5-methyl-4-phenylhept-1-yn-3-one
CID 114978498
ethyl 5-[(2R)-2-(benzhydrylamino)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 7971122
benzhydryl-[(2S)-1-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]azanium
CID 7971126
1-(5-ethylfuran-2-yl)-3-methyl-2-phenylpentan-1-one
CID 63498003
1-(cyclopenten-1-yl)-3-methyl-2-phenylpentan-1-one
CID 62078829
tert-butyl 3-methyl-2-phenylpentanoate
CID 63896641

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-phenyl-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)pentan-1-one?
The IUPAC name of 3-methyl-2-phenyl-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)pentan-1-one (CID 63927480) is 3-methyl-2-phenyl-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)pentan-1-one.
What is the SMILES notation for 3-methyl-2-phenyl-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)pentan-1-one?
The canonical SMILES for 3-methyl-2-phenyl-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)pentan-1-one is CCC(C)C(C(=O)c1[nH]c(C)c(C)c1C)c1ccccc1.
What is the InChIKey of 3-methyl-2-phenyl-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)pentan-1-one?
The InChIKey is GJBGPZPEYDBAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-6-12(2)17(16-10-8-7-9-11-16)19(21)18-14(4)13(3)15(5)20-18/h7-12,17,20H,6H2,1-5H3.
What are the key properties of 3-methyl-2-phenyl-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)pentan-1-one?
3-methyl-2-phenyl-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)pentan-1-one has a molecular weight of 283.41 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-phenyl-1-(3,4,5-trimethyl-1H-pyrrol-2-yl)pentan-1-one is sourced from PubChem (CID 63927480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).