ethane;2-methylheptane;1-oxospiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-carboxylic acid

C25H38N2O3 — CID 144715018

IUPACethane;2-methylheptane;1-oxospiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-carboxylic acid
SMILESCC.CCCCCC(C)C.O=C(O)c1ccc2cc3n(c2c1)C1(CCC1)CNC3=O
InChIInChI=1S/C15H14N2O3.C8H18.C2H6/c18-13-12-6-9-2-3-10(14(19)20)7-11(9)17(12)15(8-16-13)4-1-5-15;1-4-5-6-7-8(2)3;1-2/h2-3,6-7H,1,4-5,8H2,(H,16,18)(H,19,20);8H,4-7H2,1-3H3;1-2H3
InChIKeyMAKOQCYWBTZQMI-UHFFFAOYSA-N
MW414.59 g/mol
LogP6.21
Rot. Bonds5

About ethane;2-methylheptane;1-oxospiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-carboxylic acid

ethane;2-methylheptane;1-oxospiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-carboxylic acid (PubChem CID 144715018) has the molecular formula C25H38N2O3 and a molecular weight of 414.59 g/mol. Its IUPAC name is ethane;2-methylheptane;1-oxospiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-carboxylic acid.

Molecular Properties

Compound Nameethane;2-methylheptane;1-oxospiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-carboxylic acid
PubChem CID144715018
Molecular FormulaC25H38N2O3
Molecular Weight414.59 g/mol
Exact Mass414.29
IUPAC Nameethane;2-methylheptane;1-oxospiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-carboxylic acid
SMILESCC.CCCCCC(C)C.O=C(O)c1ccc2cc3n(c2c1)C1(CCC1)CNC3=O
InChIInChI=1S/C15H14N2O3.C8H18.C2H6/c18-13-12-6-9-2-3-10(14(19)20)7-11(9)17(12)15(8-16-13)4-1-5-15;1-4-5-6-7-8(2)3;1-2/h2-3,6-7H,1,4-5,8H2,(H,16,18)(H,19,20);8H,4-7H2,1-3H3;1-2H3
InChIKeyMAKOQCYWBTZQMI-UHFFFAOYSA-N
XLogP6.21
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.59
LogP ≤ 56.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethane;2-methylheptane;1-oxospiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-carboxylic acid 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 ethane;2-methylheptane;1-oxospiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-carboxylic acid?
The IUPAC name of ethane;2-methylheptane;1-oxospiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-carboxylic acid (CID 144715018) is ethane;2-methylheptane;1-oxospiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-carboxylic acid.
What is the SMILES notation for ethane;2-methylheptane;1-oxospiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-carboxylic acid?
The canonical SMILES for ethane;2-methylheptane;1-oxospiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-carboxylic acid is CC.CCCCCC(C)C.O=C(O)c1ccc2cc3n(c2c1)C1(CCC1)CNC3=O.
What is the InChIKey of ethane;2-methylheptane;1-oxospiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-carboxylic acid?
The InChIKey is MAKOQCYWBTZQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3.C8H18.C2H6/c18-13-12-6-9-2-3-10(14(19)20)7-11(9)17(12)15(8-16-13)4-1-5-15;1-4-5-6-7-8(2)3;1-2/h2-3,6-7H,1,4-5,8H2,(H,16,18)(H,19,20);8H,4-7H2,1-3H3;1-2H3.
What are the key properties of ethane;2-methylheptane;1-oxospiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-carboxylic acid?
ethane;2-methylheptane;1-oxospiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-carboxylic acid has a molecular weight of 414.59 g/mol, XLogP of 6.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylheptane;1-oxospiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-carboxylic acid is sourced from PubChem (CID 144715018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).