5-(aziridin-1-yl)-1,3-dimethyl-2-propan-2-ylindole-4,7-dione

C15H18N2O2 — CID 10563167

IUPAC5-(aziridin-1-yl)-1,3-dimethyl-2-propan-2-ylindole-4,7-dione
SMILESCc1c2c(n(C)c1C(C)C)C(=O)C=C(N1CC1)C2=O
InChIInChI=1S/C15H18N2O2/c1-8(2)13-9(3)12-14(16(13)4)11(18)7-10(15(12)19)17-5-6-17/h7-8H,5-6H2,1-4H3
InChIKeyFWSVXVBKHRBLSO-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.04
Rot. Bonds2

About 5-(aziridin-1-yl)-1,3-dimethyl-2-propan-2-ylindole-4,7-dione

5-(aziridin-1-yl)-1,3-dimethyl-2-propan-2-ylindole-4,7-dione (PubChem CID 10563167) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 5-(aziridin-1-yl)-1,3-dimethyl-2-propan-2-ylindole-4,7-dione.

Molecular Properties

Compound Name5-(aziridin-1-yl)-1,3-dimethyl-2-propan-2-ylindole-4,7-dione
PubChem CID10563167
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name5-(aziridin-1-yl)-1,3-dimethyl-2-propan-2-ylindole-4,7-dione
SMILESCc1c2c(n(C)c1C(C)C)C(=O)C=C(N1CC1)C2=O
InChIInChI=1S/C15H18N2O2/c1-8(2)13-9(3)12-14(16(13)4)11(18)7-10(15(12)19)17-5-6-17/h7-8H,5-6H2,1-4H3
InChIKeyFWSVXVBKHRBLSO-UHFFFAOYSA-N
XLogP2.04
TPSA42.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 5-(aziridin-1-yl)-1,3-dimethyl-2-propan-2-ylindole-4,7-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 5-(aziridin-1-yl)-1,3-dimethyl-2-propan-2-ylindole-4,7-dione?
The IUPAC name of 5-(aziridin-1-yl)-1,3-dimethyl-2-propan-2-ylindole-4,7-dione (CID 10563167) is 5-(aziridin-1-yl)-1,3-dimethyl-2-propan-2-ylindole-4,7-dione.
What is the SMILES notation for 5-(aziridin-1-yl)-1,3-dimethyl-2-propan-2-ylindole-4,7-dione?
The canonical SMILES for 5-(aziridin-1-yl)-1,3-dimethyl-2-propan-2-ylindole-4,7-dione is Cc1c2c(n(C)c1C(C)C)C(=O)C=C(N1CC1)C2=O.
What is the InChIKey of 5-(aziridin-1-yl)-1,3-dimethyl-2-propan-2-ylindole-4,7-dione?
The InChIKey is FWSVXVBKHRBLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-8(2)13-9(3)12-14(16(13)4)11(18)7-10(15(12)19)17-5-6-17/h7-8H,5-6H2,1-4H3.
What are the key properties of 5-(aziridin-1-yl)-1,3-dimethyl-2-propan-2-ylindole-4,7-dione?
5-(aziridin-1-yl)-1,3-dimethyl-2-propan-2-ylindole-4,7-dione has a molecular weight of 258.32 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aziridin-1-yl)-1,3-dimethyl-2-propan-2-ylindole-4,7-dione is sourced from PubChem (CID 10563167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).