6-chloro-1-hept-6-enylindole-2,3-dione

C15H16ClNO2 — CID 107007431

IUPAC6-chloro-1-hept-6-enylindole-2,3-dione
SMILESC=CCCCCCN1C(=O)C(=O)c2ccc(Cl)cc21
InChIInChI=1S/C15H16ClNO2/c1-2-3-4-5-6-9-17-13-10-11(16)7-8-12(13)14(18)15(17)19/h2,7-8,10H,1,3-6,9H2
InChIKeyKFEUPQBATDDHTC-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.62
Rot. Bonds6

About 6-chloro-1-hept-6-enylindole-2,3-dione

6-chloro-1-hept-6-enylindole-2,3-dione (PubChem CID 107007431) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is 6-chloro-1-hept-6-enylindole-2,3-dione.

Molecular Properties

Compound Name6-chloro-1-hept-6-enylindole-2,3-dione
PubChem CID107007431
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name6-chloro-1-hept-6-enylindole-2,3-dione
SMILESC=CCCCCCN1C(=O)C(=O)c2ccc(Cl)cc21
InChIInChI=1S/C15H16ClNO2/c1-2-3-4-5-6-9-17-13-10-11(16)7-8-12(13)14(18)15(17)19/h2,7-8,10H,1,3-6,9H2
InChIKeyKFEUPQBATDDHTC-UHFFFAOYSA-N
XLogP3.62
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-1-(5-hydroxypentyl)indole-2,3-dione
CID 55134041
6-chloro-1-(5-oxohexyl)indole-2,3-dione
CID 62023661
methyl 4-(6-chloro-2,3-dioxoindol-1-yl)butanoate
CID 55138801
6-chloro-1-[3-(ethylamino)propyl]indole-2,3-dione
CID 61388444
6-chloro-1-(2,3-dichloroprop-2-enyl)indole-2,3-dione
CID 79173662
1-but-2-enyl-6-chloroindole-2,3-dione
CID 61356254
6-chloro-1-[2-(2-hydroxyethoxy)ethyl]indole-2,3-dione
CID 61357091
6-chloro-1-phenacylindole-2,3-dione
CID 62023849
6-chloro-1-(2-morpholin-4-ylethyl)indole-2,3-dione
CID 61354619
2-pentadec-14-enylisoindole-1,3-dione
CID 140882474
1-oct-7-enylpyrrole-2,5-dione
CID 175459396
6-chloro-1-[(4-fluorophenyl)methyl]indole-2,3-dione
CID 61356251

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-hept-6-enylindole-2,3-dione?
The IUPAC name of 6-chloro-1-hept-6-enylindole-2,3-dione (CID 107007431) is 6-chloro-1-hept-6-enylindole-2,3-dione.
What is the SMILES notation for 6-chloro-1-hept-6-enylindole-2,3-dione?
The canonical SMILES for 6-chloro-1-hept-6-enylindole-2,3-dione is C=CCCCCCN1C(=O)C(=O)c2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-1-hept-6-enylindole-2,3-dione?
The InChIKey is KFEUPQBATDDHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c1-2-3-4-5-6-9-17-13-10-11(16)7-8-12(13)14(18)15(17)19/h2,7-8,10H,1,3-6,9H2.
What are the key properties of 6-chloro-1-hept-6-enylindole-2,3-dione?
6-chloro-1-hept-6-enylindole-2,3-dione has a molecular weight of 277.75 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-hept-6-enylindole-2,3-dione is sourced from PubChem (CID 107007431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).