(2R)-1'-ethyl-1-propanoylspiro[4H-3,1-benzoxazine-2,3'-indole]-2'-one

C20H20N2O3 — CID 41387421

IUPAC(2R)-1'-ethyl-1-propanoylspiro[4H-3,1-benzoxazine-2,3'-indole]-2'-one
SMILESCCC(=O)N1c2ccccc2CO[C@]12C(=O)N(CC)c1ccccc12
InChIInChI=1S/C20H20N2O3/c1-3-18(23)22-16-11-7-5-9-14(16)13-25-20(22)15-10-6-8-12-17(15)21(4-2)19(20)24/h5-12H,3-4,13H2,1-2H3/t20-/m1/s1
InChIKeyJORZMTPOQWOHPO-HXUWFJFHSA-N
MW336.39 g/mol
LogP3.18
Rot. Bonds2

About (2R)-1'-ethyl-1-propanoylspiro[4H-3,1-benzoxazine-2,3'-indole]-2'-one

(2R)-1'-ethyl-1-propanoylspiro[4H-3,1-benzoxazine-2,3'-indole]-2'-one (PubChem CID 41387421) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is (2R)-1'-ethyl-1-propanoylspiro[4H-3,1-benzoxazine-2,3'-indole]-2'-one.

Molecular Properties

Compound Name(2R)-1'-ethyl-1-propanoylspiro[4H-3,1-benzoxazine-2,3'-indole]-2'-one
PubChem CID41387421
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name(2R)-1'-ethyl-1-propanoylspiro[4H-3,1-benzoxazine-2,3'-indole]-2'-one
SMILESCCC(=O)N1c2ccccc2CO[C@]12C(=O)N(CC)c1ccccc12
InChIInChI=1S/C20H20N2O3/c1-3-18(23)22-16-11-7-5-9-14(16)13-25-20(22)15-10-6-8-12-17(15)21(4-2)19(20)24/h5-12H,3-4,13H2,1-2H3/t20-/m1/s1
InChIKeyJORZMTPOQWOHPO-HXUWFJFHSA-N
XLogP3.18
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1'-ethyl-1-propanoylspiro[4H-3,1-benzoxazine-2,3'-indole]-2'-one
CID 41387422
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
(2S)-1-acetyl-1'-methylspiro[4H-3,1-benzoxazine-2,3'-indole]-2'-one
CID 41387372
(2R)-N-ethyl-1'-methyl-2'-oxospiro[4H-3,1-benzoxazine-2,3'-indole]-1-carboxamide
CID 41387391
1-(2-fluorobenzoyl)-1'-prop-2-enylspiro[4H-3,1-benzoxazine-2,3'-indole]-2'-one
CID 16584781
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
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
5,5-dimethyl-1'-propanoylspiro[1,3-dioxane-2,3'-indole]-2'-one
CID 17383221
(2S,3S)-2-methyl-1-propanoylspiro[2H-indole-3,2'-3H-indene]-1'-one
CID 172635621

Frequently Asked Questions

What is the IUPAC name of (2R)-1'-ethyl-1-propanoylspiro[4H-3,1-benzoxazine-2,3'-indole]-2'-one?
The IUPAC name of (2R)-1'-ethyl-1-propanoylspiro[4H-3,1-benzoxazine-2,3'-indole]-2'-one (CID 41387421) is (2R)-1'-ethyl-1-propanoylspiro[4H-3,1-benzoxazine-2,3'-indole]-2'-one.
What is the SMILES notation for (2R)-1'-ethyl-1-propanoylspiro[4H-3,1-benzoxazine-2,3'-indole]-2'-one?
The canonical SMILES for (2R)-1'-ethyl-1-propanoylspiro[4H-3,1-benzoxazine-2,3'-indole]-2'-one is CCC(=O)N1c2ccccc2CO[C@]12C(=O)N(CC)c1ccccc12.
What is the InChIKey of (2R)-1'-ethyl-1-propanoylspiro[4H-3,1-benzoxazine-2,3'-indole]-2'-one?
The InChIKey is JORZMTPOQWOHPO-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-3-18(23)22-16-11-7-5-9-14(16)13-25-20(22)15-10-6-8-12-17(15)21(4-2)19(20)24/h5-12H,3-4,13H2,1-2H3/t20-/m1/s1.
What are the key properties of (2R)-1'-ethyl-1-propanoylspiro[4H-3,1-benzoxazine-2,3'-indole]-2'-one?
(2R)-1'-ethyl-1-propanoylspiro[4H-3,1-benzoxazine-2,3'-indole]-2'-one has a molecular weight of 336.39 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1'-ethyl-1-propanoylspiro[4H-3,1-benzoxazine-2,3'-indole]-2'-one is sourced from PubChem (CID 41387421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).