(2S)-1-acetyl-1'-methylspiro[4H-3,1-benzoxazine-2,3'-indole]-2'-one

C18H16N2O3 — CID 41387372

IUPAC(2S)-1-acetyl-1'-methylspiro[4H-3,1-benzoxazine-2,3'-indole]-2'-one
SMILESCC(=O)N1c2ccccc2CO[C@@]12C(=O)N(C)c1ccccc12
InChIInChI=1S/C18H16N2O3/c1-12(21)20-15-9-5-3-7-13(15)11-23-18(20)14-8-4-6-10-16(14)19(2)17(18)22/h3-10H,11H2,1-2H3/t18-/m0/s1
InChIKeyAXIUANWBJOHZHY-SFHVURJKSA-N
MW308.34 g/mol
LogP2.40
Rot. Bonds

About (2S)-1-acetyl-1'-methylspiro[4H-3,1-benzoxazine-2,3'-indole]-2'-one

(2S)-1-acetyl-1'-methylspiro[4H-3,1-benzoxazine-2,3'-indole]-2'-one (PubChem CID 41387372) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is (2S)-1-acetyl-1'-methylspiro[4H-3,1-benzoxazine-2,3'-indole]-2'-one.

Molecular Properties

Compound Name(2S)-1-acetyl-1'-methylspiro[4H-3,1-benzoxazine-2,3'-indole]-2'-one
PubChem CID41387372
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name(2S)-1-acetyl-1'-methylspiro[4H-3,1-benzoxazine-2,3'-indole]-2'-one
SMILESCC(=O)N1c2ccccc2CO[C@@]12C(=O)N(C)c1ccccc12
InChIInChI=1S/C18H16N2O3/c1-12(21)20-15-9-5-3-7-13(15)11-23-18(20)14-8-4-6-10-16(14)19(2)17(18)22/h3-10H,11H2,1-2H3/t18-/m0/s1
InChIKeyAXIUANWBJOHZHY-SFHVURJKSA-N
XLogP2.40
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-ethyl-1'-methyl-2'-oxospiro[4H-3,1-benzoxazine-2,3'-indole]-1-carboxamide
CID 41387391
N-(4-chlorophenyl)-1'-methyl-2'-oxospiro[4H-3,1-benzoxazine-2,3'-indole]-1-carboxamide
CID 16584756
1-(3,5-dimethoxybenzoyl)-1'-methylspiro[4H-3,1-benzoxazine-2,3'-indole]-2'-one
CID 16584750
1'-methyl-1-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]spiro[4H-3,1-benzoxazine-2,3'-indole]-2'-one
CID 135616375
(2S)-1'-ethyl-1-propanoylspiro[4H-3,1-benzoxazine-2,3'-indole]-2'-one
CID 41387422
(2R)-1'-ethyl-1-propanoylspiro[4H-3,1-benzoxazine-2,3'-indole]-2'-one
CID 41387421
1'-ethyl-1-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]spiro[4H-3,1-benzoxazine-2,3'-indole]-2'-one
CID 16584773
(2S)-1'-ethyl-1-[(E)-3-(furan-2-yl)prop-2-enoyl]spiro[4H-3,1-benzoxazine-2,3'-indole]-2'-one
CID 41387424
(2R)-1'-propyl-1-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]spiro[4H-3,1-benzoxazine-2,3'-indole]-2'-one
CID 41387437
1-(2-fluorobenzoyl)-1'-prop-2-enylspiro[4H-3,1-benzoxazine-2,3'-indole]-2'-one
CID 16584781
3-acetyl-1,3-dimethylindol-2-one
CID 71513470
1-(2,2-dimethyl-3H-indol-1-yl)ethanone
CID 22217727

Frequently Asked Questions

What is the IUPAC name of (2S)-1-acetyl-1'-methylspiro[4H-3,1-benzoxazine-2,3'-indole]-2'-one?
The IUPAC name of (2S)-1-acetyl-1'-methylspiro[4H-3,1-benzoxazine-2,3'-indole]-2'-one (CID 41387372) is (2S)-1-acetyl-1'-methylspiro[4H-3,1-benzoxazine-2,3'-indole]-2'-one.
What is the SMILES notation for (2S)-1-acetyl-1'-methylspiro[4H-3,1-benzoxazine-2,3'-indole]-2'-one?
The canonical SMILES for (2S)-1-acetyl-1'-methylspiro[4H-3,1-benzoxazine-2,3'-indole]-2'-one is CC(=O)N1c2ccccc2CO[C@@]12C(=O)N(C)c1ccccc12.
What is the InChIKey of (2S)-1-acetyl-1'-methylspiro[4H-3,1-benzoxazine-2,3'-indole]-2'-one?
The InChIKey is AXIUANWBJOHZHY-SFHVURJKSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-12(21)20-15-9-5-3-7-13(15)11-23-18(20)14-8-4-6-10-16(14)19(2)17(18)22/h3-10H,11H2,1-2H3/t18-/m0/s1.
What are the key properties of (2S)-1-acetyl-1'-methylspiro[4H-3,1-benzoxazine-2,3'-indole]-2'-one?
(2S)-1-acetyl-1'-methylspiro[4H-3,1-benzoxazine-2,3'-indole]-2'-one has a molecular weight of 308.34 g/mol, XLogP of 2.40, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-acetyl-1'-methylspiro[4H-3,1-benzoxazine-2,3'-indole]-2'-one is sourced from PubChem (CID 41387372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).