[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrrol-2-yl]-pyrrolidin-1-ylmethanone

C19H24N2O — CID 4229285

IUPAC[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrrol-2-yl]-pyrrolidin-1-ylmethanone
SMILESCc1ccccc1Cn1c(C)cc(C)c1C(=O)N1CCCC1
InChIInChI=1S/C19H24N2O/c1-14-8-4-5-9-17(14)13-21-16(3)12-15(2)18(21)19(22)20-10-6-7-11-20/h4-5,8-9,12H,6-7,10-11,13H2,1-3H3
InChIKeyJLFOXNQHDFKAFW-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.70
Rot. Bonds3

About [3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrrol-2-yl]-pyrrolidin-1-ylmethanone

[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrrol-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 4229285) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is [3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrrol-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrrol-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID4229285
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrrol-2-yl]-pyrrolidin-1-ylmethanone
SMILESCc1ccccc1Cn1c(C)cc(C)c1C(=O)N1CCCC1
InChIInChI=1S/C19H24N2O/c1-14-8-4-5-9-17(14)13-21-16(3)12-15(2)18(21)19(22)20-10-6-7-11-20/h4-5,8-9,12H,6-7,10-11,13H2,1-3H3
InChIKeyJLFOXNQHDFKAFW-UHFFFAOYSA-N
XLogP3.70
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrrole-2-carboxamide
CID 42792369
azepan-1-yl-(2-methylphenyl)methanone
CID 4616576
N-[(2-methylphenyl)methyl]piperidine-1-carboxamide
CID 108897154
[1-[(2-fluorophenyl)methyl]-3-methyl-4,5,6,7-tetrahydroindol-2-yl]-pyrrolidin-1-ylmethanone
CID 42789636
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-phenylmethanone
CID 780102
2-chloro-1-[2,5-dimethyl-1-[(2-methylphenyl)methyl]pyrrol-3-yl]propan-1-one
CID 60904098
(2,5-dimethylphenyl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
CID 8642232
(3-chlorophenyl)-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 38991861
[1-(1-benzyl-2,5-dimethylpyrrole-3-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 51286856
azepan-1-yl-[4-[(2-methylphenyl)methylamino]-2-pyridinyl]methanone
CID 109210082
[6-[(2-methylphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341636
(2-methylphenyl)-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]methanone
CID 110802146

Frequently Asked Questions

What is the IUPAC name of [3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrrol-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrrol-2-yl]-pyrrolidin-1-ylmethanone (CID 4229285) is [3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrrol-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrrol-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrrol-2-yl]-pyrrolidin-1-ylmethanone is Cc1ccccc1Cn1c(C)cc(C)c1C(=O)N1CCCC1.
What is the InChIKey of [3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrrol-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is JLFOXNQHDFKAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-14-8-4-5-9-17(14)13-21-16(3)12-15(2)18(21)19(22)20-10-6-7-11-20/h4-5,8-9,12H,6-7,10-11,13H2,1-3H3.
What are the key properties of [3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrrol-2-yl]-pyrrolidin-1-ylmethanone?
[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrrol-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 296.41 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrrol-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 4229285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).