7-bromo-1-[2-[(cyclopropylamino)methyl]prop-2-enyl]indole-2,3-dione

C15H15BrN2O2 — CID 103072125

IUPAC7-bromo-1-[2-[(cyclopropylamino)methyl]prop-2-enyl]indole-2,3-dione
SMILESC=C(CNC1CC1)CN1C(=O)C(=O)c2cccc(Br)c21
InChIInChI=1S/C15H15BrN2O2/c1-9(7-17-10-5-6-10)8-18-13-11(14(19)15(18)20)3-2-4-12(13)16/h2-4,10,17H,1,5-8H2
InChIKeyPMFOMYSQOYTXFZ-UHFFFAOYSA-N
MW335.20 g/mol
LogP2.29
Rot. Bonds5

About 7-bromo-1-[2-[(cyclopropylamino)methyl]prop-2-enyl]indole-2,3-dione

7-bromo-1-[2-[(cyclopropylamino)methyl]prop-2-enyl]indole-2,3-dione (PubChem CID 103072125) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 7-bromo-1-[2-[(cyclopropylamino)methyl]prop-2-enyl]indole-2,3-dione.

Molecular Properties

Compound Name7-bromo-1-[2-[(cyclopropylamino)methyl]prop-2-enyl]indole-2,3-dione
PubChem CID103072125
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name7-bromo-1-[2-[(cyclopropylamino)methyl]prop-2-enyl]indole-2,3-dione
SMILESC=C(CNC1CC1)CN1C(=O)C(=O)c2cccc(Br)c21
InChIInChI=1S/C15H15BrN2O2/c1-9(7-17-10-5-6-10)8-18-13-11(14(19)15(18)20)3-2-4-12(13)16/h2-4,10,17H,1,5-8H2
InChIKeyPMFOMYSQOYTXFZ-UHFFFAOYSA-N
XLogP2.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 52.29
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

5-bromo-1-[2-[(cyclopropylamino)methyl]prop-2-enyl]-6-fluoroindole-2,3-dione
CID 103072170
4,7-dichloro-1-[2-[(cyclopropylamino)methyl]prop-2-enyl]indole-2,3-dione
CID 106989742
7-bromo-1-(cyclopropylmethyl)indole-2,3-dione
CID 61356437
2-(7-bromo-2,3-dioxoindol-1-yl)-N-(cyclopropylmethyl)acetamide
CID 61356503
methyl 2-(7-bromo-2,3-dioxoindol-1-yl)acetate
CID 61355610
7-bromo-1-(2-hydroxyethyl)indole-2,3-dione
CID 61357109
7-bromo-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indole-2,3-dione
CID 17447980
1-[2-[(cyclopropylamino)methyl]prop-2-enyl]-4,6-dimethylindole-2,3-dione
CID 103072199
7-bromo-1-(2-oxo-2-pyrrolidin-1-ylethyl)indole-2,3-dione
CID 60711537
2-[2-[(cyclopropylamino)methyl]prop-2-enyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 103071840
7-chloro-1-[2-(methylaminomethyl)prop-2-enyl]indole-2,3-dione
CID 103072173
7-bromo-1-[2-(methylamino)ethyl]indole-2,3-dione
CID 61387766

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-[2-[(cyclopropylamino)methyl]prop-2-enyl]indole-2,3-dione?
The IUPAC name of 7-bromo-1-[2-[(cyclopropylamino)methyl]prop-2-enyl]indole-2,3-dione (CID 103072125) is 7-bromo-1-[2-[(cyclopropylamino)methyl]prop-2-enyl]indole-2,3-dione.
What is the SMILES notation for 7-bromo-1-[2-[(cyclopropylamino)methyl]prop-2-enyl]indole-2,3-dione?
The canonical SMILES for 7-bromo-1-[2-[(cyclopropylamino)methyl]prop-2-enyl]indole-2,3-dione is C=C(CNC1CC1)CN1C(=O)C(=O)c2cccc(Br)c21.
What is the InChIKey of 7-bromo-1-[2-[(cyclopropylamino)methyl]prop-2-enyl]indole-2,3-dione?
The InChIKey is PMFOMYSQOYTXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-9(7-17-10-5-6-10)8-18-13-11(14(19)15(18)20)3-2-4-12(13)16/h2-4,10,17H,1,5-8H2.
What are the key properties of 7-bromo-1-[2-[(cyclopropylamino)methyl]prop-2-enyl]indole-2,3-dione?
7-bromo-1-[2-[(cyclopropylamino)methyl]prop-2-enyl]indole-2,3-dione has a molecular weight of 335.20 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-[2-[(cyclopropylamino)methyl]prop-2-enyl]indole-2,3-dione is sourced from PubChem (CID 103072125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).