2-cyclopentyl-5-methyl-6-[[4-[(E)-1-(methylamino)prop-1-en-2-yl]phenyl]methyl]-3H-isoindol-1-one

C25H30N2O — CID 144950833

IUPAC2-cyclopentyl-5-methyl-6-[[4-[(E)-1-(methylamino)prop-1-en-2-yl]phenyl]methyl]-3H-isoindol-1-one
SMILESCN/C=C(\C)c1ccc(Cc2cc3c(cc2C)CN(C2CCCC2)C3=O)cc1
InChIInChI=1S/C25H30N2O/c1-17-12-22-16-27(23-6-4-5-7-23)25(28)24(22)14-21(17)13-19-8-10-20(11-9-19)18(2)15-26-3/h8-12,14-15,23,26H,4-7,13,16H2,1-3H3/b18-15+
InChIKeyLTUNWWGLQDWFNB-OBGWFSINSA-N
MW374.53 g/mol
LogP5.06
Rot. Bonds5

About 2-cyclopentyl-5-methyl-6-[[4-[(E)-1-(methylamino)prop-1-en-2-yl]phenyl]methyl]-3H-isoindol-1-one

2-cyclopentyl-5-methyl-6-[[4-[(E)-1-(methylamino)prop-1-en-2-yl]phenyl]methyl]-3H-isoindol-1-one (PubChem CID 144950833) has the molecular formula C25H30N2O and a molecular weight of 374.53 g/mol. Its IUPAC name is 2-cyclopentyl-5-methyl-6-[[4-[(E)-1-(methylamino)prop-1-en-2-yl]phenyl]methyl]-3H-isoindol-1-one.

Molecular Properties

Compound Name2-cyclopentyl-5-methyl-6-[[4-[(E)-1-(methylamino)prop-1-en-2-yl]phenyl]methyl]-3H-isoindol-1-one
PubChem CID144950833
Molecular FormulaC25H30N2O
Molecular Weight374.53 g/mol
Exact Mass374.24
IUPAC Name2-cyclopentyl-5-methyl-6-[[4-[(E)-1-(methylamino)prop-1-en-2-yl]phenyl]methyl]-3H-isoindol-1-one
SMILESCN/C=C(\C)c1ccc(Cc2cc3c(cc2C)CN(C2CCCC2)C3=O)cc1
InChIInChI=1S/C25H30N2O/c1-17-12-22-16-27(23-6-4-5-7-23)25(28)24(22)14-21(17)13-19-8-10-20(11-9-19)18(2)15-26-3/h8-12,14-15,23,26H,4-7,13,16H2,1-3H3/b18-15+
InChIKeyLTUNWWGLQDWFNB-OBGWFSINSA-N
XLogP5.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.53
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-cyclopentyl-5-methyl-6-[[4-[(E)-1-(methylamino)prop-1-en-2-yl]phenyl]methyl]-3H-isoindol-1-one with MolForge

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Launch Full Analysis

Related Compounds

2-cyclopentyl-5-methyl-6-[[4-(6-methyl-1,2-dihydropyridazin-2-ium-4-yl)phenyl]methyl]-3H-isoindol-1-one
CID 144950855
2-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-6-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3H-isoindol-1-one
CID 118468117
6-[(2,4-difluorophenyl)methyl]-2-[(1R,2R)-2-hydroxycyclopentyl]-5-methyl-3H-isoindol-1-one
CID 118468202
2-[(1R,2R)-2-hydroxycyclopentyl]-5-methyl-6-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3H-isoindol-1-one
CID 118468253
2-[(1S,2S)-2-(hydroxymethyl)cyclopentyl]-5-methyl-6-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3H-isoindol-1-one
CID 129212798
2-[(3S,4S)-4-hydroxyoxan-3-yl]-5-methyl-6-[(4-pyrazol-1-ylphenyl)methyl]-3H-isoindol-1-one
CID 118468379
2-cyclopropyl-6-[2-(methylamino)ethyl]-3H-isoindol-1-one
CID 83840436
4-chloro-2-cyclopentyl-5-methyl-6-[(4-pyrazol-1-ylphenyl)methyl]-3H-isoindol-1-one
CID 146614246
2-cyclopentyl-6-[(2-fluoro-4-prop-2-enimidoylphenyl)methyl]-4,5-dimethyl-3H-isoindol-1-one;N-methylmethanamine
CID 144950796
6-cyclohexyl-2-methyl-3-[(6-methyl-3-pyridinyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 142597987
4-chloro-N-(2-cyclohexyl-1-oxo-3H-isoindol-5-yl)benzamide
CID 58707854
5-chloro-2-[(1S,2S)-2-hydroxycyclohexyl]-6-[(4-pyrazol-1-ylphenyl)methyl]-3H-isoindol-1-one
CID 118468178

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-5-methyl-6-[[4-[(E)-1-(methylamino)prop-1-en-2-yl]phenyl]methyl]-3H-isoindol-1-one?
The IUPAC name of 2-cyclopentyl-5-methyl-6-[[4-[(E)-1-(methylamino)prop-1-en-2-yl]phenyl]methyl]-3H-isoindol-1-one (CID 144950833) is 2-cyclopentyl-5-methyl-6-[[4-[(E)-1-(methylamino)prop-1-en-2-yl]phenyl]methyl]-3H-isoindol-1-one.
What is the SMILES notation for 2-cyclopentyl-5-methyl-6-[[4-[(E)-1-(methylamino)prop-1-en-2-yl]phenyl]methyl]-3H-isoindol-1-one?
The canonical SMILES for 2-cyclopentyl-5-methyl-6-[[4-[(E)-1-(methylamino)prop-1-en-2-yl]phenyl]methyl]-3H-isoindol-1-one is CN/C=C(\C)c1ccc(Cc2cc3c(cc2C)CN(C2CCCC2)C3=O)cc1.
What is the InChIKey of 2-cyclopentyl-5-methyl-6-[[4-[(E)-1-(methylamino)prop-1-en-2-yl]phenyl]methyl]-3H-isoindol-1-one?
The InChIKey is LTUNWWGLQDWFNB-OBGWFSINSA-N. The full InChI is InChI=1S/C25H30N2O/c1-17-12-22-16-27(23-6-4-5-7-23)25(28)24(22)14-21(17)13-19-8-10-20(11-9-19)18(2)15-26-3/h8-12,14-15,23,26H,4-7,13,16H2,1-3H3/b18-15+.
What are the key properties of 2-cyclopentyl-5-methyl-6-[[4-[(E)-1-(methylamino)prop-1-en-2-yl]phenyl]methyl]-3H-isoindol-1-one?
2-cyclopentyl-5-methyl-6-[[4-[(E)-1-(methylamino)prop-1-en-2-yl]phenyl]methyl]-3H-isoindol-1-one has a molecular weight of 374.53 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-5-methyl-6-[[4-[(E)-1-(methylamino)prop-1-en-2-yl]phenyl]methyl]-3H-isoindol-1-one is sourced from PubChem (CID 144950833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).