3-(5-cyclopropylidenehept-1-en-2-yl)-4,6-dimethyl-1H-indole

C20H25N — CID 129236227

IUPAC3-(5-cyclopropylidenehept-1-en-2-yl)-4,6-dimethyl-1H-indole
SMILESC=C(CCC(CC)=C1CC1)c1c[nH]c2cc(C)cc(C)c12
InChIInChI=1S/C20H25N/c1-5-16(17-8-9-17)7-6-14(3)18-12-21-19-11-13(2)10-15(4)20(18)19/h10-12,21H,3,5-9H2,1-2,4H3
InChIKeyHTEATOWTGDEOJD-UHFFFAOYSA-N
MW279.43 g/mol
LogP6.08
Rot. Bonds5

About 3-(5-cyclopropylidenehept-1-en-2-yl)-4,6-dimethyl-1H-indole

3-(5-cyclopropylidenehept-1-en-2-yl)-4,6-dimethyl-1H-indole (PubChem CID 129236227) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is 3-(5-cyclopropylidenehept-1-en-2-yl)-4,6-dimethyl-1H-indole.

Molecular Properties

Compound Name3-(5-cyclopropylidenehept-1-en-2-yl)-4,6-dimethyl-1H-indole
PubChem CID129236227
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC Name3-(5-cyclopropylidenehept-1-en-2-yl)-4,6-dimethyl-1H-indole
SMILESC=C(CCC(CC)=C1CC1)c1c[nH]c2cc(C)cc(C)c12
InChIInChI=1S/C20H25N/c1-5-16(17-8-9-17)7-6-14(3)18-12-21-19-11-13(2)10-15(4)20(18)19/h10-12,21H,3,5-9H2,1-2,4H3
InChIKeyHTEATOWTGDEOJD-UHFFFAOYSA-N
XLogP6.08
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.43
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclopropylidenehept-1-en-2-yl)-4,6-dimethyl-1H-indole?
The IUPAC name of 3-(5-cyclopropylidenehept-1-en-2-yl)-4,6-dimethyl-1H-indole (CID 129236227) is 3-(5-cyclopropylidenehept-1-en-2-yl)-4,6-dimethyl-1H-indole.
What is the SMILES notation for 3-(5-cyclopropylidenehept-1-en-2-yl)-4,6-dimethyl-1H-indole?
The canonical SMILES for 3-(5-cyclopropylidenehept-1-en-2-yl)-4,6-dimethyl-1H-indole is C=C(CCC(CC)=C1CC1)c1c[nH]c2cc(C)cc(C)c12.
What is the InChIKey of 3-(5-cyclopropylidenehept-1-en-2-yl)-4,6-dimethyl-1H-indole?
The InChIKey is HTEATOWTGDEOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N/c1-5-16(17-8-9-17)7-6-14(3)18-12-21-19-11-13(2)10-15(4)20(18)19/h10-12,21H,3,5-9H2,1-2,4H3.
What are the key properties of 3-(5-cyclopropylidenehept-1-en-2-yl)-4,6-dimethyl-1H-indole?
3-(5-cyclopropylidenehept-1-en-2-yl)-4,6-dimethyl-1H-indole has a molecular weight of 279.43 g/mol, XLogP of 6.08, 5 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclopropylidenehept-1-en-2-yl)-4,6-dimethyl-1H-indole is sourced from PubChem (CID 129236227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).