(2R)-1'-pentylspiro[3H-1,3-benzoxazine-2,3'-indole]-2',4-dione

C20H20N2O3 — CID 41452929

IUPAC(2R)-1'-pentylspiro[3H-1,3-benzoxazine-2,3'-indole]-2',4-dione
SMILESCCCCCN1C(=O)[C@@]2(NC(=O)c3ccccc3O2)c2ccccc21
InChIInChI=1S/C20H20N2O3/c1-2-3-8-13-22-16-11-6-5-10-15(16)20(19(22)24)21-18(23)14-9-4-7-12-17(14)25-20/h4-7,9-12H,2-3,8,13H2,1H3,(H,21,23)/t20-/m1/s1
InChIKeyDVWDDBXLNKNRKI-HXUWFJFHSA-N
MW336.39 g/mol
LogP3.20
Rot. Bonds4

About (2R)-1'-pentylspiro[3H-1,3-benzoxazine-2,3'-indole]-2',4-dione

(2R)-1'-pentylspiro[3H-1,3-benzoxazine-2,3'-indole]-2',4-dione (PubChem CID 41452929) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is (2R)-1'-pentylspiro[3H-1,3-benzoxazine-2,3'-indole]-2',4-dione.

Molecular Properties

Compound Name(2R)-1'-pentylspiro[3H-1,3-benzoxazine-2,3'-indole]-2',4-dione
PubChem CID41452929
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name(2R)-1'-pentylspiro[3H-1,3-benzoxazine-2,3'-indole]-2',4-dione
SMILESCCCCCN1C(=O)[C@@]2(NC(=O)c3ccccc3O2)c2ccccc21
InChIInChI=1S/C20H20N2O3/c1-2-3-8-13-22-16-11-6-5-10-15(16)20(19(22)24)21-18(23)14-9-4-7-12-17(14)25-20/h4-7,9-12H,2-3,8,13H2,1H3,(H,21,23)/t20-/m1/s1
InChIKeyDVWDDBXLNKNRKI-HXUWFJFHSA-N
XLogP3.20
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1'-ethylspiro[3H-1,3-benzoxazine-2,3'-indole]-2',4-dione
CID 17121937
(2R)-1'-acetylspiro[3H-1,3-benzoxazine-2,3'-indole]-2',4-dione
CID 26183224
1'-dodecylspiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 18889643
(2S)-1'-pentyl-3-phenylspiro[1H-quinazoline-2,3'-indole]-2',4-dione
CID 41457149
1-(5-bromopentyl)-3,3-dimethylindol-2-one
CID 80500399
(7R)-1'-pentylspiro[6H-cyclopenta[f][1,3]benzodioxole-7,3'-indole]-2',5-dione
CID 166449110
1-(3-bromopropyl)-3,3-dimethylindol-2-one
CID 15881759
3-bromo-3-(6-hydroxy-1,3-benzodioxol-5-yl)-1-pentylindol-2-one
CID 69108773
1-butyl-3-hydroxy-3-(2-oxopropyl)indol-2-one
CID 18888241
(2R)-2-methyl-2-propyl-3H-1,3-benzoxazin-4-one
CID 684178
2-(2',4-dioxospiro[1,3-dihydroquinazoline-2,3'-indole]-1'-yl)-N,N-diethylacetamide
CID 3509796
4-(3-aminopropyl)-2,2-diethyl-1,4-benzoxazin-3-one
CID 82162476

Frequently Asked Questions

What is the IUPAC name of (2R)-1'-pentylspiro[3H-1,3-benzoxazine-2,3'-indole]-2',4-dione?
The IUPAC name of (2R)-1'-pentylspiro[3H-1,3-benzoxazine-2,3'-indole]-2',4-dione (CID 41452929) is (2R)-1'-pentylspiro[3H-1,3-benzoxazine-2,3'-indole]-2',4-dione.
What is the SMILES notation for (2R)-1'-pentylspiro[3H-1,3-benzoxazine-2,3'-indole]-2',4-dione?
The canonical SMILES for (2R)-1'-pentylspiro[3H-1,3-benzoxazine-2,3'-indole]-2',4-dione is CCCCCN1C(=O)[C@@]2(NC(=O)c3ccccc3O2)c2ccccc21.
What is the InChIKey of (2R)-1'-pentylspiro[3H-1,3-benzoxazine-2,3'-indole]-2',4-dione?
The InChIKey is DVWDDBXLNKNRKI-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-2-3-8-13-22-16-11-6-5-10-15(16)20(19(22)24)21-18(23)14-9-4-7-12-17(14)25-20/h4-7,9-12H,2-3,8,13H2,1H3,(H,21,23)/t20-/m1/s1.
What are the key properties of (2R)-1'-pentylspiro[3H-1,3-benzoxazine-2,3'-indole]-2',4-dione?
(2R)-1'-pentylspiro[3H-1,3-benzoxazine-2,3'-indole]-2',4-dione has a molecular weight of 336.39 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1'-pentylspiro[3H-1,3-benzoxazine-2,3'-indole]-2',4-dione is sourced from PubChem (CID 41452929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).