5-chloro-1-[2-(methylaminomethyl)prop-2-enyl]indole-2,3-dione

C13H13ClN2O2 — CID 103071645

IUPAC5-chloro-1-[2-(methylaminomethyl)prop-2-enyl]indole-2,3-dione
SMILESC=C(CNC)CN1C(=O)C(=O)c2cc(Cl)ccc21
InChIInChI=1S/C13H13ClN2O2/c1-8(6-15-2)7-16-11-4-3-9(14)5-10(11)12(17)13(16)18/h3-5,15H,1,6-7H2,2H3
InChIKeyLUGNWIRXFBRCNO-UHFFFAOYSA-N
MW264.71 g/mol
LogP1.64
Rot. Bonds4

About 5-chloro-1-[2-(methylaminomethyl)prop-2-enyl]indole-2,3-dione

5-chloro-1-[2-(methylaminomethyl)prop-2-enyl]indole-2,3-dione (PubChem CID 103071645) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 5-chloro-1-[2-(methylaminomethyl)prop-2-enyl]indole-2,3-dione.

Molecular Properties

Compound Name5-chloro-1-[2-(methylaminomethyl)prop-2-enyl]indole-2,3-dione
PubChem CID103071645
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name5-chloro-1-[2-(methylaminomethyl)prop-2-enyl]indole-2,3-dione
SMILESC=C(CNC)CN1C(=O)C(=O)c2cc(Cl)ccc21
InChIInChI=1S/C13H13ClN2O2/c1-8(6-15-2)7-16-11-4-3-9(14)5-10(11)12(17)13(16)18/h3-5,15H,1,6-7H2,2H3
InChIKeyLUGNWIRXFBRCNO-UHFFFAOYSA-N
XLogP1.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-chloro-1-[2-(methylaminomethyl)prop-2-enyl]indole-2,3-dione
CID 103072173
1-[2-(ethylaminomethyl)prop-2-enyl]-5-methylindole-2,3-dione
CID 103071681
3-(5-chloro-2,3-dioxoindol-1-yl)-N-methylpropanamide
CID 62325353
5-methyl-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]indole-2,3-dione
CID 103071684
5-chloro-1-[[4-[(5-chloro-2,3-dioxoindol-1-yl)methyl]phenyl]methyl]indole-2,3-dione
CID 139227622
4,7-dichloro-1-[2-(methylaminomethyl)prop-2-enyl]indole-2,3-dione
CID 106989741
5-chloro-1-(2-chloroethyl)indole-2,3-dione
CID 12634820
1-[2-(ethylaminomethyl)prop-2-enyl]-5-nitroindole-2,3-dione
CID 103071868
5-methoxy-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]indole-2,3-dione
CID 103072193
5-chloro-1-[(E)-3-chloroprop-2-enyl]indole-2,3-dione
CID 103826042
5-chloro-1-(2-fluoroethyl)indole-2,3-dione
CID 80694760
5-chloro-1-(2-ethylbutyl)indole-2,3-dione
CID 82928521

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[2-(methylaminomethyl)prop-2-enyl]indole-2,3-dione?
The IUPAC name of 5-chloro-1-[2-(methylaminomethyl)prop-2-enyl]indole-2,3-dione (CID 103071645) is 5-chloro-1-[2-(methylaminomethyl)prop-2-enyl]indole-2,3-dione.
What is the SMILES notation for 5-chloro-1-[2-(methylaminomethyl)prop-2-enyl]indole-2,3-dione?
The canonical SMILES for 5-chloro-1-[2-(methylaminomethyl)prop-2-enyl]indole-2,3-dione is C=C(CNC)CN1C(=O)C(=O)c2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-1-[2-(methylaminomethyl)prop-2-enyl]indole-2,3-dione?
The InChIKey is LUGNWIRXFBRCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-8(6-15-2)7-16-11-4-3-9(14)5-10(11)12(17)13(16)18/h3-5,15H,1,6-7H2,2H3.
What are the key properties of 5-chloro-1-[2-(methylaminomethyl)prop-2-enyl]indole-2,3-dione?
5-chloro-1-[2-(methylaminomethyl)prop-2-enyl]indole-2,3-dione has a molecular weight of 264.71 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[2-(methylaminomethyl)prop-2-enyl]indole-2,3-dione is sourced from PubChem (CID 103071645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).