2-[2-(methylaminomethyl)phenyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione

C15H18N2O2 — CID 103980065

IUPAC2-[2-(methylaminomethyl)phenyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESCNCc1ccccc1N1C(=O)C2CCCC2C1=O
InChIInChI=1S/C15H18N2O2/c1-16-9-10-5-2-3-8-13(10)17-14(18)11-6-4-7-12(11)15(17)19/h2-3,5,8,11-12,16H,4,6-7,9H2,1H3
InChIKeyKOGNBPBNNMHQEE-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.70
Rot. Bonds3

About 2-[2-(methylaminomethyl)phenyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione

2-[2-(methylaminomethyl)phenyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (PubChem CID 103980065) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[2-(methylaminomethyl)phenyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.

Molecular Properties

Compound Name2-[2-(methylaminomethyl)phenyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
PubChem CID103980065
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-[2-(methylaminomethyl)phenyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESCNCc1ccccc1N1C(=O)C2CCCC2C1=O
InChIInChI=1S/C15H18N2O2/c1-16-9-10-5-2-3-8-13(10)17-14(18)11-6-4-7-12(11)15(17)19/h2-3,5,8,11-12,16H,4,6-7,9H2,1H3
InChIKeyKOGNBPBNNMHQEE-UHFFFAOYSA-N
XLogP1.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-[2-(methylaminomethyl)phenyl]azepane-2,7-dione
CID 61350563
4,4-dimethyl-1-[2-(methylaminomethyl)phenyl]piperidine-2,6-dione
CID 62930376
(3aR,4R,7R,7aR)-2-(2-ethylphenyl)-4,7-diphenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 124766991
(3aR,7aS)-2-(2-bromophenyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 2267253
2-(2-methoxyphenyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 2847719
1-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)phenyl]-N-methylmethanamine
CID 43620591
1-[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)phenyl]-N-methylmethanamine
CID 63150727
2-[2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenoxy]acetonitrile
CID 43369792
N,N-dimethyl-1-[2-(methylaminomethyl)phenyl]pyrrolidin-3-amine
CID 55159520
(1R,2R,6S,7S)-4-(2-ethylphenyl)-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 2177191
1-[2-(3-tert-butylazetidin-1-yl)phenyl]-N-methylmethanamine
CID 79677506
1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]-N-methylmethanamine
CID 79935349

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylaminomethyl)phenyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The IUPAC name of 2-[2-(methylaminomethyl)phenyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (CID 103980065) is 2-[2-(methylaminomethyl)phenyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.
What is the SMILES notation for 2-[2-(methylaminomethyl)phenyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The canonical SMILES for 2-[2-(methylaminomethyl)phenyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is CNCc1ccccc1N1C(=O)C2CCCC2C1=O.
What is the InChIKey of 2-[2-(methylaminomethyl)phenyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The InChIKey is KOGNBPBNNMHQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-16-9-10-5-2-3-8-13(10)17-14(18)11-6-4-7-12(11)15(17)19/h2-3,5,8,11-12,16H,4,6-7,9H2,1H3.
What are the key properties of 2-[2-(methylaminomethyl)phenyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
2-[2-(methylaminomethyl)phenyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione has a molecular weight of 258.32 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylaminomethyl)phenyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is sourced from PubChem (CID 103980065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).