2-[2-(aminomethyl)prop-2-enyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione

C12H18N2O2 — CID 103073107

IUPAC2-[2-(aminomethyl)prop-2-enyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESC=C(CN)CN1C(=O)C2CC(C)CC2C1=O
InChIInChI=1S/C12H18N2O2/c1-7-3-9-10(4-7)12(16)14(11(9)15)6-8(2)5-13/h7,9-10H,2-6,13H2,1H3
InChIKeyHYFDUQOHWAWCKX-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.53
Rot. Bonds3

About 2-[2-(aminomethyl)prop-2-enyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione

2-[2-(aminomethyl)prop-2-enyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (PubChem CID 103073107) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-[2-(aminomethyl)prop-2-enyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.

Molecular Properties

Compound Name2-[2-(aminomethyl)prop-2-enyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
PubChem CID103073107
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-[2-(aminomethyl)prop-2-enyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESC=C(CN)CN1C(=O)C2CC(C)CC2C1=O
InChIInChI=1S/C12H18N2O2/c1-7-3-9-10(4-7)12(16)14(11(9)15)6-8(2)5-13/h7,9-10H,2-6,13H2,1H3
InChIKeyHYFDUQOHWAWCKX-UHFFFAOYSA-N
XLogP0.53
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-(aminomethyl)prop-2-enyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)prop-2-enyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The IUPAC name of 2-[2-(aminomethyl)prop-2-enyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (CID 103073107) is 2-[2-(aminomethyl)prop-2-enyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.
What is the SMILES notation for 2-[2-(aminomethyl)prop-2-enyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The canonical SMILES for 2-[2-(aminomethyl)prop-2-enyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is C=C(CN)CN1C(=O)C2CC(C)CC2C1=O.
What is the InChIKey of 2-[2-(aminomethyl)prop-2-enyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The InChIKey is HYFDUQOHWAWCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-7-3-9-10(4-7)12(16)14(11(9)15)6-8(2)5-13/h7,9-10H,2-6,13H2,1H3.
What are the key properties of 2-[2-(aminomethyl)prop-2-enyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
2-[2-(aminomethyl)prop-2-enyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione has a molecular weight of 222.29 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)prop-2-enyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is sourced from PubChem (CID 103073107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).