4,7-dichloro-1-[2-[(cyclopropylamino)methyl]prop-2-enyl]indole-2,3-dione

C15H14Cl2N2O2 — CID 106989742

IUPAC4,7-dichloro-1-[2-[(cyclopropylamino)methyl]prop-2-enyl]indole-2,3-dione
SMILESC=C(CNC1CC1)CN1C(=O)C(=O)c2c(Cl)ccc(Cl)c21
InChIInChI=1S/C15H14Cl2N2O2/c1-8(6-18-9-2-3-9)7-19-13-11(17)5-4-10(16)12(13)14(20)15(19)21/h4-5,9,18H,1-3,6-7H2
InChIKeyIKIJDVTVHCIZEQ-UHFFFAOYSA-N
MW325.20 g/mol
LogP2.83
Rot. Bonds5

About 4,7-dichloro-1-[2-[(cyclopropylamino)methyl]prop-2-enyl]indole-2,3-dione

4,7-dichloro-1-[2-[(cyclopropylamino)methyl]prop-2-enyl]indole-2,3-dione (PubChem CID 106989742) has the molecular formula C15H14Cl2N2O2 and a molecular weight of 325.20 g/mol. Its IUPAC name is 4,7-dichloro-1-[2-[(cyclopropylamino)methyl]prop-2-enyl]indole-2,3-dione.

Molecular Properties

Compound Name4,7-dichloro-1-[2-[(cyclopropylamino)methyl]prop-2-enyl]indole-2,3-dione
PubChem CID106989742
Molecular FormulaC15H14Cl2N2O2
Molecular Weight325.20 g/mol
Exact Mass324.04
IUPAC Name4,7-dichloro-1-[2-[(cyclopropylamino)methyl]prop-2-enyl]indole-2,3-dione
SMILESC=C(CNC1CC1)CN1C(=O)C(=O)c2c(Cl)ccc(Cl)c21
InChIInChI=1S/C15H14Cl2N2O2/c1-8(6-18-9-2-3-9)7-19-13-11(17)5-4-10(16)12(13)14(20)15(19)21/h4-5,9,18H,1-3,6-7H2
InChIKeyIKIJDVTVHCIZEQ-UHFFFAOYSA-N
XLogP2.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 52.83
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

4,7-dichloro-1-[2-(methylaminomethyl)prop-2-enyl]indole-2,3-dione
CID 106989741
4,7-dichloro-1-(2-chloroprop-2-enyl)indole-2,3-dione
CID 106988691
7-bromo-1-[2-[(cyclopropylamino)methyl]prop-2-enyl]indole-2,3-dione
CID 103072125
2-[(4,7-dichloro-2,3-dioxoindol-1-yl)methyl]prop-2-enoic acid
CID 106988578
1-[2-[(cyclopropylamino)methyl]prop-2-enyl]-4,6-dimethylindole-2,3-dione
CID 103072199
4,7-dichloro-1-(cyclopropylmethyl)indole-2,3-dione
CID 106988637
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
5-bromo-1-[2-[(cyclopropylamino)methyl]prop-2-enyl]-6-fluoroindole-2,3-dione
CID 103072170
2-(4,7-dichloro-2,3-dioxoindol-1-yl)-N-(2-methylpropyl)acetamide
CID 106988780
propan-2-yl 2-(4,7-dichloro-2,3-dioxoindol-1-yl)acetate
CID 106988552
3-[2-[(cyclopropylamino)methyl]prop-2-enyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 103071770

Frequently Asked Questions

What is the IUPAC name of 4,7-dichloro-1-[2-[(cyclopropylamino)methyl]prop-2-enyl]indole-2,3-dione?
The IUPAC name of 4,7-dichloro-1-[2-[(cyclopropylamino)methyl]prop-2-enyl]indole-2,3-dione (CID 106989742) is 4,7-dichloro-1-[2-[(cyclopropylamino)methyl]prop-2-enyl]indole-2,3-dione.
What is the SMILES notation for 4,7-dichloro-1-[2-[(cyclopropylamino)methyl]prop-2-enyl]indole-2,3-dione?
The canonical SMILES for 4,7-dichloro-1-[2-[(cyclopropylamino)methyl]prop-2-enyl]indole-2,3-dione is C=C(CNC1CC1)CN1C(=O)C(=O)c2c(Cl)ccc(Cl)c21.
What is the InChIKey of 4,7-dichloro-1-[2-[(cyclopropylamino)methyl]prop-2-enyl]indole-2,3-dione?
The InChIKey is IKIJDVTVHCIZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O2/c1-8(6-18-9-2-3-9)7-19-13-11(17)5-4-10(16)12(13)14(20)15(19)21/h4-5,9,18H,1-3,6-7H2.
What are the key properties of 4,7-dichloro-1-[2-[(cyclopropylamino)methyl]prop-2-enyl]indole-2,3-dione?
4,7-dichloro-1-[2-[(cyclopropylamino)methyl]prop-2-enyl]indole-2,3-dione has a molecular weight of 325.20 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dichloro-1-[2-[(cyclopropylamino)methyl]prop-2-enyl]indole-2,3-dione is sourced from PubChem (CID 106989742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).