1-[4-(5,6-dihydro-1H-indol-3-yl)cyclohexa-1,5-dien-1-yl]ethanimine

C16H18N2 — CID 146275666

IUPAC1-[4-(5,6-dihydro-1H-indol-3-yl)cyclohexa-1,5-dien-1-yl]ethanimine
SMILES[H]/N=C(\C)C1=CCC(c2c[nH]c3c2=CCCC=3)C=C1
InChIInChI=1S/C16H18N2/c1-11(17)12-6-8-13(9-7-12)15-10-18-16-5-3-2-4-14(15)16/h4-8,10,13,17-18H,2-3,9H2,1H3/b17-11+
InChIKeyGWFDBQOCUJMSDC-GZTJUZNOSA-N
MW238.33 g/mol
LogP2.38
Rot. Bonds2

About 1-[4-(5,6-dihydro-1H-indol-3-yl)cyclohexa-1,5-dien-1-yl]ethanimine

1-[4-(5,6-dihydro-1H-indol-3-yl)cyclohexa-1,5-dien-1-yl]ethanimine (PubChem CID 146275666) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[4-(5,6-dihydro-1H-indol-3-yl)cyclohexa-1,5-dien-1-yl]ethanimine.

Molecular Properties

Compound Name1-[4-(5,6-dihydro-1H-indol-3-yl)cyclohexa-1,5-dien-1-yl]ethanimine
PubChem CID146275666
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name1-[4-(5,6-dihydro-1H-indol-3-yl)cyclohexa-1,5-dien-1-yl]ethanimine
SMILES[H]/N=C(\C)C1=CCC(c2c[nH]c3c2=CCCC=3)C=C1
InChIInChI=1S/C16H18N2/c1-11(17)12-6-8-13(9-7-12)15-10-18-16-5-3-2-4-14(15)16/h4-8,10,13,17-18H,2-3,9H2,1H3/b17-11+
InChIKeyGWFDBQOCUJMSDC-GZTJUZNOSA-N
XLogP2.38
TPSA39.64 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5,6-dihydro-1H-indol-3-yl)cyclohexa-1,5-dien-1-yl]ethanimine?
The IUPAC name of 1-[4-(5,6-dihydro-1H-indol-3-yl)cyclohexa-1,5-dien-1-yl]ethanimine (CID 146275666) is 1-[4-(5,6-dihydro-1H-indol-3-yl)cyclohexa-1,5-dien-1-yl]ethanimine.
What is the SMILES notation for 1-[4-(5,6-dihydro-1H-indol-3-yl)cyclohexa-1,5-dien-1-yl]ethanimine?
The canonical SMILES for 1-[4-(5,6-dihydro-1H-indol-3-yl)cyclohexa-1,5-dien-1-yl]ethanimine is [H]/N=C(\C)C1=CCC(c2c[nH]c3c2=CCCC=3)C=C1.
What is the InChIKey of 1-[4-(5,6-dihydro-1H-indol-3-yl)cyclohexa-1,5-dien-1-yl]ethanimine?
The InChIKey is GWFDBQOCUJMSDC-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H18N2/c1-11(17)12-6-8-13(9-7-12)15-10-18-16-5-3-2-4-14(15)16/h4-8,10,13,17-18H,2-3,9H2,1H3/b17-11+.
What are the key properties of 1-[4-(5,6-dihydro-1H-indol-3-yl)cyclohexa-1,5-dien-1-yl]ethanimine?
1-[4-(5,6-dihydro-1H-indol-3-yl)cyclohexa-1,5-dien-1-yl]ethanimine has a molecular weight of 238.33 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5,6-dihydro-1H-indol-3-yl)cyclohexa-1,5-dien-1-yl]ethanimine is sourced from PubChem (CID 146275666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).