(1-methyl-2-oxospiro[indole-3,4'-oxane]-6-yl)carbamic acid

C14H16N2O4 — CID 146524669

IUPAC(1-methyl-2-oxospiro[indole-3,4'-oxane]-6-yl)carbamic acid
SMILESCN1C(=O)C2(CCOCC2)c2ccc(NC(=O)O)cc21
InChIInChI=1S/C14H16N2O4/c1-16-11-8-9(15-13(18)19)2-3-10(11)14(12(16)17)4-6-20-7-5-14/h2-3,8,15H,4-7H2,1H3,(H,18,19)
InChIKeyKZJSAHISYGQFON-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.80
Rot. Bonds1

About (1-methyl-2-oxospiro[indole-3,4'-oxane]-6-yl)carbamic acid

(1-methyl-2-oxospiro[indole-3,4'-oxane]-6-yl)carbamic acid (PubChem CID 146524669) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is (1-methyl-2-oxospiro[indole-3,4'-oxane]-6-yl)carbamic acid.

Molecular Properties

Compound Name(1-methyl-2-oxospiro[indole-3,4'-oxane]-6-yl)carbamic acid
PubChem CID146524669
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name(1-methyl-2-oxospiro[indole-3,4'-oxane]-6-yl)carbamic acid
SMILESCN1C(=O)C2(CCOCC2)c2ccc(NC(=O)O)cc21
InChIInChI=1S/C14H16N2O4/c1-16-11-8-9(15-13(18)19)2-3-10(11)14(12(16)17)4-6-20-7-5-14/h2-3,8,15H,4-7H2,1H3,(H,18,19)
InChIKeyKZJSAHISYGQFON-UHFFFAOYSA-N
XLogP1.80
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(1'-methyl-2'-oxospiro[cyclopropane-1,3'-indole]-6'-yl)amino]methyl]prop-2-enamide
CID 176996795
2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfanylamino)-N-(1-methyl-2-oxospiro[indole-3,4'-oxane]-5-yl)benzamide
CID 177197295
1-methyl-5-nitrospiro[indole-3,4'-oxane]-2-one
CID 122459681
formic acid;1-methyl-5-[(1-methylpyrazol-4-yl)methylamino]spiro[indole-3,4'-oxane]-2-one
CID 155869129
1-fluoro-N-(2-oxo-1-propan-2-ylspiro[indole-3,4'-oxane]-5-yl)cyclobutane-1-carboxamide
CID 131691258
(2'R,3S)-2'-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxospiro[indole-3,4'-oxane]-1-carboxylic acid
CID 146524621
1'-methyl-5'-(methylamino)spiro[cyclobutane-1,3'-indole]-2'-one
CID 83853133
1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 14317864
1-methyl-1'-(oxane-4-carbonyl)spiro[indole-3,4'-piperidine]-2-one
CID 91914380
(3S)-5-acetyl-1',6-dimethylspiro[2,4-dihydropyran-3,3'-indole]-2'-one
CID 102110139
N'-methyl-N-(2-oxospiro[1H-indole-3,4'-oxane]-6-yl)ethanimidamide
CID 134356299
1',5'-dimethylspiro[cyclopentane-1,3'-indole]-2'-one;1',5'-dimethylspiro[cyclopropane-1,3'-indole]-2'-one;1',6'-dimethylspiro[cyclopropane-1,3'-indole]-2'-one;1,3,3,5-tetramethylindol-2-one
CID 161024534

Frequently Asked Questions

What is the IUPAC name of (1-methyl-2-oxospiro[indole-3,4'-oxane]-6-yl)carbamic acid?
The IUPAC name of (1-methyl-2-oxospiro[indole-3,4'-oxane]-6-yl)carbamic acid (CID 146524669) is (1-methyl-2-oxospiro[indole-3,4'-oxane]-6-yl)carbamic acid.
What is the SMILES notation for (1-methyl-2-oxospiro[indole-3,4'-oxane]-6-yl)carbamic acid?
The canonical SMILES for (1-methyl-2-oxospiro[indole-3,4'-oxane]-6-yl)carbamic acid is CN1C(=O)C2(CCOCC2)c2ccc(NC(=O)O)cc21.
What is the InChIKey of (1-methyl-2-oxospiro[indole-3,4'-oxane]-6-yl)carbamic acid?
The InChIKey is KZJSAHISYGQFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-16-11-8-9(15-13(18)19)2-3-10(11)14(12(16)17)4-6-20-7-5-14/h2-3,8,15H,4-7H2,1H3,(H,18,19).
What are the key properties of (1-methyl-2-oxospiro[indole-3,4'-oxane]-6-yl)carbamic acid?
(1-methyl-2-oxospiro[indole-3,4'-oxane]-6-yl)carbamic acid has a molecular weight of 276.29 g/mol, XLogP of 1.80, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-2-oxospiro[indole-3,4'-oxane]-6-yl)carbamic acid is sourced from PubChem (CID 146524669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).