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

C13H13ClN2O2 — CID 103072173

IUPAC7-chloro-1-[2-(methylaminomethyl)prop-2-enyl]indole-2,3-dione
SMILESC=C(CNC)CN1C(=O)C(=O)c2cccc(Cl)c21
InChIInChI=1S/C13H13ClN2O2/c1-8(6-15-2)7-16-11-9(12(17)13(16)18)4-3-5-10(11)14/h3-5,15H,1,6-7H2,2H3
InChIKeyNMEXPMWHIGGOII-UHFFFAOYSA-N
MW264.71 g/mol
LogP1.64
Rot. Bonds4

About 7-chloro-1-[2-(methylaminomethyl)prop-2-enyl]indole-2,3-dione

7-chloro-1-[2-(methylaminomethyl)prop-2-enyl]indole-2,3-dione (PubChem CID 103072173) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 7-chloro-1-[2-(methylaminomethyl)prop-2-enyl]indole-2,3-dione.

Molecular Properties

Compound Name7-chloro-1-[2-(methylaminomethyl)prop-2-enyl]indole-2,3-dione
PubChem CID103072173
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name7-chloro-1-[2-(methylaminomethyl)prop-2-enyl]indole-2,3-dione
SMILESC=C(CNC)CN1C(=O)C(=O)c2cccc(Cl)c21
InChIInChI=1S/C13H13ClN2O2/c1-8(6-15-2)7-16-11-9(12(17)13(16)18)4-3-5-10(11)14/h3-5,15H,1,6-7H2,2H3
InChIKeyNMEXPMWHIGGOII-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-[(propan-2-ylamino)methyl]prop-2-enyl]indole-2,3-dione
CID 103072176
4,7-dichloro-1-[2-(methylaminomethyl)prop-2-enyl]indole-2,3-dione
CID 106989741
7-chloro-1-(2-methylprop-2-enyl)indole-2,3-dione
CID 61355997
5-chloro-1-[2-(methylaminomethyl)prop-2-enyl]indole-2,3-dione
CID 103071645
7-chloro-1-(2,3-dichloroprop-2-enyl)indole-2,3-dione
CID 79174168
2-(7-chloro-2,3-dioxoindol-1-yl)-N-phenylacetamide
CID 73346162
7-chloro-1-(4-methylpentyl)indole-2,3-dione
CID 83157456
2-(7-chloro-2,3-dioxoindol-1-yl)acetonitrile
CID 61356292
7-bromo-1-(2-methylidenebutyl)indole-2,3-dione
CID 66046443
7-chloro-1-(cyclopropylmethyl)indole-2,3-dione
CID 61355974
7-chloro-1-(2-propan-2-ylsulfonylethyl)indole-2,3-dione
CID 106726073
4-(7-chloro-2,3-dioxoindol-1-yl)butanoic acid
CID 61355822

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-[2-(methylaminomethyl)prop-2-enyl]indole-2,3-dione?
The IUPAC name of 7-chloro-1-[2-(methylaminomethyl)prop-2-enyl]indole-2,3-dione (CID 103072173) is 7-chloro-1-[2-(methylaminomethyl)prop-2-enyl]indole-2,3-dione.
What is the SMILES notation for 7-chloro-1-[2-(methylaminomethyl)prop-2-enyl]indole-2,3-dione?
The canonical SMILES for 7-chloro-1-[2-(methylaminomethyl)prop-2-enyl]indole-2,3-dione is C=C(CNC)CN1C(=O)C(=O)c2cccc(Cl)c21.
What is the InChIKey of 7-chloro-1-[2-(methylaminomethyl)prop-2-enyl]indole-2,3-dione?
The InChIKey is NMEXPMWHIGGOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-8(6-15-2)7-16-11-9(12(17)13(16)18)4-3-5-10(11)14/h3-5,15H,1,6-7H2,2H3.
What are the key properties of 7-chloro-1-[2-(methylaminomethyl)prop-2-enyl]indole-2,3-dione?
7-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 7-chloro-1-[2-(methylaminomethyl)prop-2-enyl]indole-2,3-dione is sourced from PubChem (CID 103072173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).