6-[bis(prop-2-enyl)amino]-3-hydroxy-1,3-dihydroindol-2-one

C14H16N2O2 — CID 43586583

IUPAC6-[bis(prop-2-enyl)amino]-3-hydroxy-1,3-dihydroindol-2-one
SMILESC=CCN(CC=C)c1ccc2c(c1)NC(=O)C2O
InChIInChI=1S/C14H16N2O2/c1-3-7-16(8-4-2)10-5-6-11-12(9-10)15-14(18)13(11)17/h3-6,9,13,17H,1-2,7-8H2,(H,15,18)
InChIKeyZTQIPEAUSMTKSA-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.85
Rot. Bonds5

About 6-[bis(prop-2-enyl)amino]-3-hydroxy-1,3-dihydroindol-2-one

6-[bis(prop-2-enyl)amino]-3-hydroxy-1,3-dihydroindol-2-one (PubChem CID 43586583) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 6-[bis(prop-2-enyl)amino]-3-hydroxy-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-[bis(prop-2-enyl)amino]-3-hydroxy-1,3-dihydroindol-2-one
PubChem CID43586583
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name6-[bis(prop-2-enyl)amino]-3-hydroxy-1,3-dihydroindol-2-one
SMILESC=CCN(CC=C)c1ccc2c(c1)NC(=O)C2O
InChIInChI=1S/C14H16N2O2/c1-3-7-16(8-4-2)10-5-6-11-12(9-10)15-14(18)13(11)17/h3-6,9,13,17H,1-2,7-8H2,(H,15,18)
InChIKeyZTQIPEAUSMTKSA-UHFFFAOYSA-N
XLogP1.85
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-[ethyl(propyl)amino]-3-hydroxy-1,3-dihydroindol-2-one
CID 43586692
3-amino-6-[2-methoxyethyl(prop-2-enyl)amino]-1,3-dihydroindol-2-one
CID 103339183
6-[cyclopropyl(ethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one
CID 43586683
3-hydroxy-6-[methyl(2-methylsulfanylethyl)amino]-1,3-dihydroindol-2-one
CID 112661697
6-(N-ethyl-3-methylanilino)-3-hydroxy-1,3-dihydroindol-2-one
CID 61075160
6-[3,3-dimethylbutan-2-yl(methyl)amino]-3-hydroxy-1,3-dihydroindol-2-one
CID 55010245
3-hydroxy-6-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1,3-dihydroindol-2-one
CID 43586724
6-butylsulfanyl-3-hydroxy-1,3-dihydroindol-2-one
CID 63835750
6-(2,3-dihydroxypropylsulfanyl)-3-hydroxy-1,3-dihydroindol-2-one
CID 79670282
3-hydroxy-6-(4-hydroxybutan-2-ylsulfanyl)-1,3-dihydroindol-2-one
CID 66138000
3-hydroxy-6-(2-methylsulfonylethylsulfanyl)-1,3-dihydroindol-2-one
CID 55239839
3-hydroxy-6-(2-methylbutylsulfanyl)-1,3-dihydroindol-2-one
CID 107762167

Frequently Asked Questions

What is the IUPAC name of 6-[bis(prop-2-enyl)amino]-3-hydroxy-1,3-dihydroindol-2-one?
The IUPAC name of 6-[bis(prop-2-enyl)amino]-3-hydroxy-1,3-dihydroindol-2-one (CID 43586583) is 6-[bis(prop-2-enyl)amino]-3-hydroxy-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-[bis(prop-2-enyl)amino]-3-hydroxy-1,3-dihydroindol-2-one?
The canonical SMILES for 6-[bis(prop-2-enyl)amino]-3-hydroxy-1,3-dihydroindol-2-one is C=CCN(CC=C)c1ccc2c(c1)NC(=O)C2O.
What is the InChIKey of 6-[bis(prop-2-enyl)amino]-3-hydroxy-1,3-dihydroindol-2-one?
The InChIKey is ZTQIPEAUSMTKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-3-7-16(8-4-2)10-5-6-11-12(9-10)15-14(18)13(11)17/h3-6,9,13,17H,1-2,7-8H2,(H,15,18).
What are the key properties of 6-[bis(prop-2-enyl)amino]-3-hydroxy-1,3-dihydroindol-2-one?
6-[bis(prop-2-enyl)amino]-3-hydroxy-1,3-dihydroindol-2-one has a molecular weight of 244.29 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[bis(prop-2-enyl)amino]-3-hydroxy-1,3-dihydroindol-2-one is sourced from PubChem (CID 43586583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).