4-[1-[(2-methylphenyl)methyl]indol-3-yl]-1-pyrrolidin-1-ylbutan-1-one

C24H28N2O — CID 22522978

IUPAC4-[1-[(2-methylphenyl)methyl]indol-3-yl]-1-pyrrolidin-1-ylbutan-1-one
SMILESCc1ccccc1Cn1cc(CCCC(=O)N2CCCC2)c2ccccc21
InChIInChI=1S/C24H28N2O/c1-19-9-2-3-10-20(19)17-26-18-21(22-12-4-5-13-23(22)26)11-8-14-24(27)25-15-6-7-16-25/h2-5,9-10,12-13,18H,6-8,11,14-17H2,1H3
InChIKeyIQGQYPVZHUOBQF-UHFFFAOYSA-N
MW360.50 g/mol
LogP4.94
Rot. Bonds6

About 4-[1-[(2-methylphenyl)methyl]indol-3-yl]-1-pyrrolidin-1-ylbutan-1-one

4-[1-[(2-methylphenyl)methyl]indol-3-yl]-1-pyrrolidin-1-ylbutan-1-one (PubChem CID 22522978) has the molecular formula C24H28N2O and a molecular weight of 360.50 g/mol. Its IUPAC name is 4-[1-[(2-methylphenyl)methyl]indol-3-yl]-1-pyrrolidin-1-ylbutan-1-one.

Molecular Properties

Compound Name4-[1-[(2-methylphenyl)methyl]indol-3-yl]-1-pyrrolidin-1-ylbutan-1-one
PubChem CID22522978
Molecular FormulaC24H28N2O
Molecular Weight360.50 g/mol
Exact Mass360.22
IUPAC Name4-[1-[(2-methylphenyl)methyl]indol-3-yl]-1-pyrrolidin-1-ylbutan-1-one
SMILESCc1ccccc1Cn1cc(CCCC(=O)N2CCCC2)c2ccccc21
InChIInChI=1S/C24H28N2O/c1-19-9-2-3-10-20(19)17-26-18-21(22-12-4-5-13-23(22)26)11-8-14-24(27)25-15-6-7-16-25/h2-5,9-10,12-13,18H,6-8,11,14-17H2,1H3
InChIKeyIQGQYPVZHUOBQF-UHFFFAOYSA-N
XLogP4.94
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-[(2-methylphenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one
CID 20900005
5-[1-[(2-methylphenyl)methyl]indol-3-yl]pentan-2-one;1,2,3-trimethylbenzene
CID 154688157
4-[1-[(2-methylphenyl)methyl]indol-3-yl]butanal
CID 154688020
N-butyl-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide
CID 20900041
3-[1-[(2-chlorophenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one
CID 20899818
2-[(3-methoxyphenyl)methyl]-6-[1-[(2-methylphenyl)methyl]indol-3-yl]hex-1-en-3-one
CID 154688165
3-[1-[(2-methylphenyl)methyl]indol-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide
CID 46274643
N-(2-methylcyclohexyl)-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide
CID 20900033
N-(2,3-dimethylcyclohexyl)-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide
CID 20900035
N-(cyclopenta-1,3-dien-1-ylmethyl)-3-[1-[(2-methylphenyl)methyl]indol-3-yl]propanamide
CID 164781372
4-[1-[(2-fluorophenyl)methyl]indol-3-yl]butanoic acid
CID 53212403
1-(3-hydroxypiperidin-1-yl)-4-(2-methylphenyl)butan-1-one
CID 115277015

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2-methylphenyl)methyl]indol-3-yl]-1-pyrrolidin-1-ylbutan-1-one?
The IUPAC name of 4-[1-[(2-methylphenyl)methyl]indol-3-yl]-1-pyrrolidin-1-ylbutan-1-one (CID 22522978) is 4-[1-[(2-methylphenyl)methyl]indol-3-yl]-1-pyrrolidin-1-ylbutan-1-one.
What is the SMILES notation for 4-[1-[(2-methylphenyl)methyl]indol-3-yl]-1-pyrrolidin-1-ylbutan-1-one?
The canonical SMILES for 4-[1-[(2-methylphenyl)methyl]indol-3-yl]-1-pyrrolidin-1-ylbutan-1-one is Cc1ccccc1Cn1cc(CCCC(=O)N2CCCC2)c2ccccc21.
What is the InChIKey of 4-[1-[(2-methylphenyl)methyl]indol-3-yl]-1-pyrrolidin-1-ylbutan-1-one?
The InChIKey is IQGQYPVZHUOBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O/c1-19-9-2-3-10-20(19)17-26-18-21(22-12-4-5-13-23(22)26)11-8-14-24(27)25-15-6-7-16-25/h2-5,9-10,12-13,18H,6-8,11,14-17H2,1H3.
What are the key properties of 4-[1-[(2-methylphenyl)methyl]indol-3-yl]-1-pyrrolidin-1-ylbutan-1-one?
4-[1-[(2-methylphenyl)methyl]indol-3-yl]-1-pyrrolidin-1-ylbutan-1-one has a molecular weight of 360.50 g/mol, XLogP of 4.94, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2-methylphenyl)methyl]indol-3-yl]-1-pyrrolidin-1-ylbutan-1-one is sourced from PubChem (CID 22522978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).