5-[1-(1,3-benzodioxol-5-ylamino)ethenylamino]-1,3-dihydroindol-2-one

C17H15N3O3 — CID 155113907

IUPAC5-[1-(1,3-benzodioxol-5-ylamino)ethenylamino]-1,3-dihydroindol-2-one
SMILESC=C(Nc1ccc2c(c1)CC(=O)N2)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C17H15N3O3/c1-10(19-13-3-5-15-16(8-13)23-9-22-15)18-12-2-4-14-11(6-12)7-17(21)20-14/h2-6,8,18-19H,1,7,9H2,(H,20,21)
InChIKeyVXSGIJLKOCYZMV-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.91
Rot. Bonds4

About 5-[1-(1,3-benzodioxol-5-ylamino)ethenylamino]-1,3-dihydroindol-2-one

5-[1-(1,3-benzodioxol-5-ylamino)ethenylamino]-1,3-dihydroindol-2-one (PubChem CID 155113907) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 5-[1-(1,3-benzodioxol-5-ylamino)ethenylamino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[1-(1,3-benzodioxol-5-ylamino)ethenylamino]-1,3-dihydroindol-2-one
PubChem CID155113907
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name5-[1-(1,3-benzodioxol-5-ylamino)ethenylamino]-1,3-dihydroindol-2-one
SMILESC=C(Nc1ccc2c(c1)CC(=O)N2)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C17H15N3O3/c1-10(19-13-3-5-15-16(8-13)23-9-22-15)18-12-2-4-14-11(6-12)7-17(21)20-14/h2-6,8,18-19H,1,7,9H2,(H,20,21)
InChIKeyVXSGIJLKOCYZMV-UHFFFAOYSA-N
XLogP2.91
TPSA71.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-(3-chloro-5-methylanilino)ethenylamino]-1,3-dihydroindol-2-one
CID 155113869
5-[3-(1,3-benzodioxol-5-yl)-2-oxopropyl]-1,3-dihydroindol-2-one
CID 164994429
1-(1,3-benzodioxol-5-yl)-3-(2-oxo-1,3-dihydroinden-5-yl)urea
CID 164948255
2,2-dimethyl-3-oxo-3-[(2-oxo-1,3-dihydroindol-5-yl)amino]propanoic acid
CID 115163929
2-cyano-2-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)propanamide
CID 115174931
4-amino-N-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 22690108
N-(1,3-benzodioxol-5-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 17488439
1-(4-cyanophenyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea
CID 155113952
3-amino-2-hydroxy-N-(2-oxo-1,3-dihydroindol-5-yl)propanamide
CID 115180257
N-(1,3-benzodioxol-5-yl)-2-hydrazinyl-2-oxoacetamide
CID 4774594
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 18103136
6-[[2-(1,3-benzodioxol-5-ylamino)-5-methylpyrimidin-4-yl]amino]-3,4-dihydro-1H-quinolin-2-one;6-[[4-(1,3-benzodioxol-5-ylamino)-5-methylpyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;2-N,4-N-bis(1,3-benzodioxol-5-yl)-5-methylpyrimidine-2,4-diamine
CID 160708060

Frequently Asked Questions

What is the IUPAC name of 5-[1-(1,3-benzodioxol-5-ylamino)ethenylamino]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[1-(1,3-benzodioxol-5-ylamino)ethenylamino]-1,3-dihydroindol-2-one (CID 155113907) is 5-[1-(1,3-benzodioxol-5-ylamino)ethenylamino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[1-(1,3-benzodioxol-5-ylamino)ethenylamino]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[1-(1,3-benzodioxol-5-ylamino)ethenylamino]-1,3-dihydroindol-2-one is C=C(Nc1ccc2c(c1)CC(=O)N2)Nc1ccc2c(c1)OCO2.
What is the InChIKey of 5-[1-(1,3-benzodioxol-5-ylamino)ethenylamino]-1,3-dihydroindol-2-one?
The InChIKey is VXSGIJLKOCYZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-10(19-13-3-5-15-16(8-13)23-9-22-15)18-12-2-4-14-11(6-12)7-17(21)20-14/h2-6,8,18-19H,1,7,9H2,(H,20,21).
What are the key properties of 5-[1-(1,3-benzodioxol-5-ylamino)ethenylamino]-1,3-dihydroindol-2-one?
5-[1-(1,3-benzodioxol-5-ylamino)ethenylamino]-1,3-dihydroindol-2-one has a molecular weight of 309.33 g/mol, XLogP of 2.91, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1,3-benzodioxol-5-ylamino)ethenylamino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 155113907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).