1,1-dimethyl-2-penta-1,3-dienyl-4,5,8,9-tetrahydrobenzo[e]indole

C19H23N — CID 123745720

IUPAC1,1-dimethyl-2-penta-1,3-dienyl-4,5,8,9-tetrahydrobenzo[e]indole
SMILESCC=CC=CC1=NC2=C(C3=C(C=CCC3)CC2)C1(C)C
InChIInChI=1S/C19H23N/c1-4-5-6-11-17-19(2,3)18-15-10-8-7-9-14(15)12-13-16(18)20-17/h4-7,9,11H,8,10,12-13H2,1-3H3
InChIKeySLWCLHUCEDOQJT-UHFFFAOYSA-N
MW265.40 g/mol
LogP5.29
Rot. Bonds2

About 1,1-dimethyl-2-penta-1,3-dienyl-4,5,8,9-tetrahydrobenzo[e]indole

1,1-dimethyl-2-penta-1,3-dienyl-4,5,8,9-tetrahydrobenzo[e]indole (PubChem CID 123745720) has the molecular formula C19H23N and a molecular weight of 265.40 g/mol. Its IUPAC name is 1,1-dimethyl-2-penta-1,3-dienyl-4,5,8,9-tetrahydrobenzo[e]indole.

Molecular Properties

Compound Name1,1-dimethyl-2-penta-1,3-dienyl-4,5,8,9-tetrahydrobenzo[e]indole
PubChem CID123745720
Molecular FormulaC19H23N
Molecular Weight265.40 g/mol
Exact Mass265.18
IUPAC Name1,1-dimethyl-2-penta-1,3-dienyl-4,5,8,9-tetrahydrobenzo[e]indole
SMILESCC=CC=CC1=NC2=C(C3=C(C=CCC3)CC2)C1(C)C
InChIInChI=1S/C19H23N/c1-4-5-6-11-17-19(2,3)18-15-10-8-7-9-14(15)12-13-16(18)20-17/h4-7,9,11H,8,10,12-13H2,1-3H3
InChIKeySLWCLHUCEDOQJT-UHFFFAOYSA-N
XLogP5.29
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.40
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,1-dimethyl-2-penta-1,3-dienyl-4,5,8,9-tetrahydrobenzo[e]indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-2-penta-1,3-dienyl-4,5,8,9-tetrahydrobenzo[e]indole?
The IUPAC name of 1,1-dimethyl-2-penta-1,3-dienyl-4,5,8,9-tetrahydrobenzo[e]indole (CID 123745720) is 1,1-dimethyl-2-penta-1,3-dienyl-4,5,8,9-tetrahydrobenzo[e]indole.
What is the SMILES notation for 1,1-dimethyl-2-penta-1,3-dienyl-4,5,8,9-tetrahydrobenzo[e]indole?
The canonical SMILES for 1,1-dimethyl-2-penta-1,3-dienyl-4,5,8,9-tetrahydrobenzo[e]indole is CC=CC=CC1=NC2=C(C3=C(C=CCC3)CC2)C1(C)C.
What is the InChIKey of 1,1-dimethyl-2-penta-1,3-dienyl-4,5,8,9-tetrahydrobenzo[e]indole?
The InChIKey is SLWCLHUCEDOQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N/c1-4-5-6-11-17-19(2,3)18-15-10-8-7-9-14(15)12-13-16(18)20-17/h4-7,9,11H,8,10,12-13H2,1-3H3.
What are the key properties of 1,1-dimethyl-2-penta-1,3-dienyl-4,5,8,9-tetrahydrobenzo[e]indole?
1,1-dimethyl-2-penta-1,3-dienyl-4,5,8,9-tetrahydrobenzo[e]indole has a molecular weight of 265.40 g/mol, XLogP of 5.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-2-penta-1,3-dienyl-4,5,8,9-tetrahydrobenzo[e]indole is sourced from PubChem (CID 123745720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).