2,3-dimethylidene-1-[(1E,3Z)-penta-1,3-dienyl]-3a,7a-dihydroindole

C15H17N — CID 122600428

IUPAC2,3-dimethylidene-1-[(1E,3Z)-penta-1,3-dienyl]-3a,7a-dihydroindole
SMILESC=C1C(=C)N(/C=C/C=C\C)C2C=CC=CC12
InChIInChI=1S/C15H17N/c1-4-5-8-11-16-13(3)12(2)14-9-6-7-10-15(14)16/h4-11,14-15H,2-3H2,1H3/b5-4-,11-8+
InChIKeyUZPGDNJZRDPSNQ-LGXSBLIVSA-N
MW211.31 g/mol
LogP3.57
Rot. Bonds2

About 2,3-dimethylidene-1-[(1E,3Z)-penta-1,3-dienyl]-3a,7a-dihydroindole

2,3-dimethylidene-1-[(1E,3Z)-penta-1,3-dienyl]-3a,7a-dihydroindole (PubChem CID 122600428) has the molecular formula C15H17N and a molecular weight of 211.31 g/mol. Its IUPAC name is 2,3-dimethylidene-1-[(1E,3Z)-penta-1,3-dienyl]-3a,7a-dihydroindole.

Molecular Properties

Compound Name2,3-dimethylidene-1-[(1E,3Z)-penta-1,3-dienyl]-3a,7a-dihydroindole
PubChem CID122600428
Molecular FormulaC15H17N
Molecular Weight211.31 g/mol
Exact Mass211.14
IUPAC Name2,3-dimethylidene-1-[(1E,3Z)-penta-1,3-dienyl]-3a,7a-dihydroindole
SMILESC=C1C(=C)N(/C=C/C=C\C)C2C=CC=CC12
InChIInChI=1S/C15H17N/c1-4-5-8-11-16-13(3)12(2)14-9-6-7-10-15(14)16/h4-11,14-15H,2-3H2,1H3/b5-4-,11-8+
InChIKeyUZPGDNJZRDPSNQ-LGXSBLIVSA-N
XLogP3.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylidene-1-[(1E,3Z)-penta-1,3-dienyl]-3a,7a-dihydroindole?
The IUPAC name of 2,3-dimethylidene-1-[(1E,3Z)-penta-1,3-dienyl]-3a,7a-dihydroindole (CID 122600428) is 2,3-dimethylidene-1-[(1E,3Z)-penta-1,3-dienyl]-3a,7a-dihydroindole.
What is the SMILES notation for 2,3-dimethylidene-1-[(1E,3Z)-penta-1,3-dienyl]-3a,7a-dihydroindole?
The canonical SMILES for 2,3-dimethylidene-1-[(1E,3Z)-penta-1,3-dienyl]-3a,7a-dihydroindole is C=C1C(=C)N(/C=C/C=C\C)C2C=CC=CC12.
What is the InChIKey of 2,3-dimethylidene-1-[(1E,3Z)-penta-1,3-dienyl]-3a,7a-dihydroindole?
The InChIKey is UZPGDNJZRDPSNQ-LGXSBLIVSA-N. The full InChI is InChI=1S/C15H17N/c1-4-5-8-11-16-13(3)12(2)14-9-6-7-10-15(14)16/h4-11,14-15H,2-3H2,1H3/b5-4-,11-8+.
What are the key properties of 2,3-dimethylidene-1-[(1E,3Z)-penta-1,3-dienyl]-3a,7a-dihydroindole?
2,3-dimethylidene-1-[(1E,3Z)-penta-1,3-dienyl]-3a,7a-dihydroindole has a molecular weight of 211.31 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylidene-1-[(1E,3Z)-penta-1,3-dienyl]-3a,7a-dihydroindole is sourced from PubChem (CID 122600428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).