1-[(E)-2-cyclohexa-1,3-dien-1-ylprop-1-enyl]-2-methyl-7-methylidene-1-azacyclohepta-2,3,5-triene

C17H19N — CID 142298051

IUPAC1-[(E)-2-cyclohexa-1,3-dien-1-ylprop-1-enyl]-2-methyl-7-methylidene-1-azacyclohepta-2,3,5-triene
SMILESC=C1C=CC=C=C(C)N1/C=C(\C)C1=CC=CCC1
InChIInChI=1S/C17H19N/c1-14(17-11-5-4-6-12-17)13-18-15(2)9-7-8-10-16(18)3/h4-5,7-9,11,13H,2,6,12H2,1,3H3/b14-13+
InChIKeyFUJPGZNVIDEQNM-BUHFOSPRSA-N
MW237.35 g/mol
LogP4.61
Rot. Bonds2

About 1-[(E)-2-cyclohexa-1,3-dien-1-ylprop-1-enyl]-2-methyl-7-methylidene-1-azacyclohepta-2,3,5-triene

1-[(E)-2-cyclohexa-1,3-dien-1-ylprop-1-enyl]-2-methyl-7-methylidene-1-azacyclohepta-2,3,5-triene (PubChem CID 142298051) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-[(E)-2-cyclohexa-1,3-dien-1-ylprop-1-enyl]-2-methyl-7-methylidene-1-azacyclohepta-2,3,5-triene.

Molecular Properties

Compound Name1-[(E)-2-cyclohexa-1,3-dien-1-ylprop-1-enyl]-2-methyl-7-methylidene-1-azacyclohepta-2,3,5-triene
PubChem CID142298051
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC Name1-[(E)-2-cyclohexa-1,3-dien-1-ylprop-1-enyl]-2-methyl-7-methylidene-1-azacyclohepta-2,3,5-triene
SMILESC=C1C=CC=C=C(C)N1/C=C(\C)C1=CC=CCC1
InChIInChI=1S/C17H19N/c1-14(17-11-5-4-6-12-17)13-18-15(2)9-7-8-10-16(18)3/h4-5,7-9,11,13H,2,6,12H2,1,3H3/b14-13+
InChIKeyFUJPGZNVIDEQNM-BUHFOSPRSA-N
XLogP4.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-cyclohexa-1,3-dien-1-ylprop-1-enyl]-2-methyl-7-methylidene-1-azacyclohepta-2,3,5-triene?
The IUPAC name of 1-[(E)-2-cyclohexa-1,3-dien-1-ylprop-1-enyl]-2-methyl-7-methylidene-1-azacyclohepta-2,3,5-triene (CID 142298051) is 1-[(E)-2-cyclohexa-1,3-dien-1-ylprop-1-enyl]-2-methyl-7-methylidene-1-azacyclohepta-2,3,5-triene.
What is the SMILES notation for 1-[(E)-2-cyclohexa-1,3-dien-1-ylprop-1-enyl]-2-methyl-7-methylidene-1-azacyclohepta-2,3,5-triene?
The canonical SMILES for 1-[(E)-2-cyclohexa-1,3-dien-1-ylprop-1-enyl]-2-methyl-7-methylidene-1-azacyclohepta-2,3,5-triene is C=C1C=CC=C=C(C)N1/C=C(\C)C1=CC=CCC1.
What is the InChIKey of 1-[(E)-2-cyclohexa-1,3-dien-1-ylprop-1-enyl]-2-methyl-7-methylidene-1-azacyclohepta-2,3,5-triene?
The InChIKey is FUJPGZNVIDEQNM-BUHFOSPRSA-N. The full InChI is InChI=1S/C17H19N/c1-14(17-11-5-4-6-12-17)13-18-15(2)9-7-8-10-16(18)3/h4-5,7-9,11,13H,2,6,12H2,1,3H3/b14-13+.
What are the key properties of 1-[(E)-2-cyclohexa-1,3-dien-1-ylprop-1-enyl]-2-methyl-7-methylidene-1-azacyclohepta-2,3,5-triene?
1-[(E)-2-cyclohexa-1,3-dien-1-ylprop-1-enyl]-2-methyl-7-methylidene-1-azacyclohepta-2,3,5-triene has a molecular weight of 237.35 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-cyclohexa-1,3-dien-1-ylprop-1-enyl]-2-methyl-7-methylidene-1-azacyclohepta-2,3,5-triene is sourced from PubChem (CID 142298051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).