methyl 5-(methylamino)-2-oxospiro[1H-indole-3,1'-cyclobutane]-7-carboxylate

C14H16N2O3 — CID 145209499

IUPACmethyl 5-(methylamino)-2-oxospiro[1H-indole-3,1'-cyclobutane]-7-carboxylate
SMILESCNc1cc(C(=O)OC)c2c(c1)C1(CCC1)C(=O)N2
InChIInChI=1S/C14H16N2O3/c1-15-8-6-9(12(17)19-2)11-10(7-8)14(4-3-5-14)13(18)16-11/h6-7,15H,3-5H2,1-2H3,(H,16,18)
InChIKeyWMDBZBKDXZPOOE-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.89
Rot. Bonds2

About methyl 5-(methylamino)-2-oxospiro[1H-indole-3,1'-cyclobutane]-7-carboxylate

methyl 5-(methylamino)-2-oxospiro[1H-indole-3,1'-cyclobutane]-7-carboxylate (PubChem CID 145209499) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is methyl 5-(methylamino)-2-oxospiro[1H-indole-3,1'-cyclobutane]-7-carboxylate.

Molecular Properties

Compound Namemethyl 5-(methylamino)-2-oxospiro[1H-indole-3,1'-cyclobutane]-7-carboxylate
PubChem CID145209499
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Namemethyl 5-(methylamino)-2-oxospiro[1H-indole-3,1'-cyclobutane]-7-carboxylate
SMILESCNc1cc(C(=O)OC)c2c(c1)C1(CCC1)C(=O)N2
InChIInChI=1S/C14H16N2O3/c1-15-8-6-9(12(17)19-2)11-10(7-8)14(4-3-5-14)13(18)16-11/h6-7,15H,3-5H2,1-2H3,(H,16,18)
InChIKeyWMDBZBKDXZPOOE-UHFFFAOYSA-N
XLogP1.89
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(methylamino)-2-oxospiro[1H-indole-3,1'-cyclobutane]-7-carboxylate?
The IUPAC name of methyl 5-(methylamino)-2-oxospiro[1H-indole-3,1'-cyclobutane]-7-carboxylate (CID 145209499) is methyl 5-(methylamino)-2-oxospiro[1H-indole-3,1'-cyclobutane]-7-carboxylate.
What is the SMILES notation for methyl 5-(methylamino)-2-oxospiro[1H-indole-3,1'-cyclobutane]-7-carboxylate?
The canonical SMILES for methyl 5-(methylamino)-2-oxospiro[1H-indole-3,1'-cyclobutane]-7-carboxylate is CNc1cc(C(=O)OC)c2c(c1)C1(CCC1)C(=O)N2.
What is the InChIKey of methyl 5-(methylamino)-2-oxospiro[1H-indole-3,1'-cyclobutane]-7-carboxylate?
The InChIKey is WMDBZBKDXZPOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-15-8-6-9(12(17)19-2)11-10(7-8)14(4-3-5-14)13(18)16-11/h6-7,15H,3-5H2,1-2H3,(H,16,18).
What are the key properties of methyl 5-(methylamino)-2-oxospiro[1H-indole-3,1'-cyclobutane]-7-carboxylate?
methyl 5-(methylamino)-2-oxospiro[1H-indole-3,1'-cyclobutane]-7-carboxylate has a molecular weight of 260.29 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(methylamino)-2-oxospiro[1H-indole-3,1'-cyclobutane]-7-carboxylate is sourced from PubChem (CID 145209499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).