1-[2-[(cyclopropylamino)methyl]prop-2-enyl]-4,6-dimethylindole-2,3-dione

C17H20N2O2 — CID 103072199

IUPAC1-[2-[(cyclopropylamino)methyl]prop-2-enyl]-4,6-dimethylindole-2,3-dione
SMILESC=C(CNC1CC1)CN1C(=O)C(=O)c2c(C)cc(C)cc21
InChIInChI=1S/C17H20N2O2/c1-10-6-12(3)15-14(7-10)19(17(21)16(15)20)9-11(2)8-18-13-4-5-13/h6-7,13,18H,2,4-5,8-9H2,1,3H3
InChIKeyAAKSMGVEBUPZKP-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.14
Rot. Bonds5

About 1-[2-[(cyclopropylamino)methyl]prop-2-enyl]-4,6-dimethylindole-2,3-dione

1-[2-[(cyclopropylamino)methyl]prop-2-enyl]-4,6-dimethylindole-2,3-dione (PubChem CID 103072199) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[2-[(cyclopropylamino)methyl]prop-2-enyl]-4,6-dimethylindole-2,3-dione.

Molecular Properties

Compound Name1-[2-[(cyclopropylamino)methyl]prop-2-enyl]-4,6-dimethylindole-2,3-dione
PubChem CID103072199
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name1-[2-[(cyclopropylamino)methyl]prop-2-enyl]-4,6-dimethylindole-2,3-dione
SMILESC=C(CNC1CC1)CN1C(=O)C(=O)c2c(C)cc(C)cc21
InChIInChI=1S/C17H20N2O2/c1-10-6-12(3)15-14(7-10)19(17(21)16(15)20)9-11(2)8-18-13-4-5-13/h6-7,13,18H,2,4-5,8-9H2,1,3H3
InChIKeyAAKSMGVEBUPZKP-UHFFFAOYSA-N
XLogP2.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[2-[(cyclopropylamino)methyl]prop-2-enyl]-4,6-dimethylindole-2,3-dione with MolForge

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

Launch Full Analysis

Related Compounds

5,6-dimethyl-2,3-dihydro-1H-indole-2,3-dione
CID 52550
4,7-dimethyl-2,3-dihydro-1H-indole-2,3-dione
CID 3264931
N-Cyclopropyl-4-Methyl-3-(2'-Oxo-1',2'-Dihydrospiro[cyclopentane-1,3'-Indol]-6'-Yl)benzamide
CID 44251218
N-cyclopropyl-4-methyl-3-(2-oxospiro[1H-indole-3,1'-cyclohexane]-6-yl)benzamide
CID 44250342
6-Methyl-1H-indole-2,3-dione
CID 14318
4-methyl-2,3-dihydro-1H-indole-2,3-dione
CID 583906
n-(3-Methylphenyl)-2-[4-(1-oxo-2,3-dihydro-1h-isoindol-4-yl)phenyl]acetamide
CID 5329883
N-(2,6-diethylphenyl)-2-(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)acetamide
CID 1631473
1-[(3,4-Dimethylphenyl)methyl]-2,3-dioxo-indoline-5-carboxamide
CID 515966
N-(1-Isopropyl-2-methyl-propyl)-2-(2-oxo-2H-benzo[cd]indol-1-yl)-acetamide
CID 951912
N-(2,5-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 2855849
2-(2,3-dioxo-1-indolyl)-N-(2-phenylethyl)acetamide
CID 4410320

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(cyclopropylamino)methyl]prop-2-enyl]-4,6-dimethylindole-2,3-dione?
The IUPAC name of 1-[2-[(cyclopropylamino)methyl]prop-2-enyl]-4,6-dimethylindole-2,3-dione (CID 103072199) is 1-[2-[(cyclopropylamino)methyl]prop-2-enyl]-4,6-dimethylindole-2,3-dione.
What is the SMILES notation for 1-[2-[(cyclopropylamino)methyl]prop-2-enyl]-4,6-dimethylindole-2,3-dione?
The canonical SMILES for 1-[2-[(cyclopropylamino)methyl]prop-2-enyl]-4,6-dimethylindole-2,3-dione is C=C(CNC1CC1)CN1C(=O)C(=O)c2c(C)cc(C)cc21.
What is the InChIKey of 1-[2-[(cyclopropylamino)methyl]prop-2-enyl]-4,6-dimethylindole-2,3-dione?
The InChIKey is AAKSMGVEBUPZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-10-6-12(3)15-14(7-10)19(17(21)16(15)20)9-11(2)8-18-13-4-5-13/h6-7,13,18H,2,4-5,8-9H2,1,3H3.
What are the key properties of 1-[2-[(cyclopropylamino)methyl]prop-2-enyl]-4,6-dimethylindole-2,3-dione?
1-[2-[(cyclopropylamino)methyl]prop-2-enyl]-4,6-dimethylindole-2,3-dione has a molecular weight of 284.36 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(cyclopropylamino)methyl]prop-2-enyl]-4,6-dimethylindole-2,3-dione is sourced from PubChem (CID 103072199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).