7-amino-5-(methylamino)spiro[1H-indole-3,1'-cyclobutane]-2-one

C12H15N3O — CID 144866846

IUPAC7-amino-5-(methylamino)spiro[1H-indole-3,1'-cyclobutane]-2-one
SMILESCNc1cc(N)c2c(c1)C1(CCC1)C(=O)N2
InChIInChI=1S/C12H15N3O/c1-14-7-5-8-10(9(13)6-7)15-11(16)12(8)3-2-4-12/h5-6,14H,2-4,13H2,1H3,(H,15,16)
InChIKeyGBJQEJCJGAJDOD-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.68
Rot. Bonds1

About 7-amino-5-(methylamino)spiro[1H-indole-3,1'-cyclobutane]-2-one

7-amino-5-(methylamino)spiro[1H-indole-3,1'-cyclobutane]-2-one (PubChem CID 144866846) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 7-amino-5-(methylamino)spiro[1H-indole-3,1'-cyclobutane]-2-one.

Molecular Properties

Compound Name7-amino-5-(methylamino)spiro[1H-indole-3,1'-cyclobutane]-2-one
PubChem CID144866846
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name7-amino-5-(methylamino)spiro[1H-indole-3,1'-cyclobutane]-2-one
SMILESCNc1cc(N)c2c(c1)C1(CCC1)C(=O)N2
InChIInChI=1S/C12H15N3O/c1-14-7-5-8-10(9(13)6-7)15-11(16)12(8)3-2-4-12/h5-6,14H,2-4,13H2,1H3,(H,15,16)
InChIKeyGBJQEJCJGAJDOD-UHFFFAOYSA-N
XLogP1.68
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-amino-5-(methylamino)spiro[1H-indole-3,1'-cyclobutane]-2-one?
The IUPAC name of 7-amino-5-(methylamino)spiro[1H-indole-3,1'-cyclobutane]-2-one (CID 144866846) is 7-amino-5-(methylamino)spiro[1H-indole-3,1'-cyclobutane]-2-one.
What is the SMILES notation for 7-amino-5-(methylamino)spiro[1H-indole-3,1'-cyclobutane]-2-one?
The canonical SMILES for 7-amino-5-(methylamino)spiro[1H-indole-3,1'-cyclobutane]-2-one is CNc1cc(N)c2c(c1)C1(CCC1)C(=O)N2.
What is the InChIKey of 7-amino-5-(methylamino)spiro[1H-indole-3,1'-cyclobutane]-2-one?
The InChIKey is GBJQEJCJGAJDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-14-7-5-8-10(9(13)6-7)15-11(16)12(8)3-2-4-12/h5-6,14H,2-4,13H2,1H3,(H,15,16).
What are the key properties of 7-amino-5-(methylamino)spiro[1H-indole-3,1'-cyclobutane]-2-one?
7-amino-5-(methylamino)spiro[1H-indole-3,1'-cyclobutane]-2-one has a molecular weight of 217.27 g/mol, XLogP of 1.68, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-5-(methylamino)spiro[1H-indole-3,1'-cyclobutane]-2-one is sourced from PubChem (CID 144866846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).