N-(2-cyclopenta-2,4-dien-1-ylprop-2-enyl)-N-phenylaniline

C20H19N — CID 175102826

IUPACN-(2-cyclopenta-2,4-dien-1-ylprop-2-enyl)-N-phenylaniline
SMILESC=C(CN(c1ccccc1)c1ccccc1)C1C=CC=C1
InChIInChI=1S/C20H19N/c1-17(18-10-8-9-11-18)16-21(19-12-4-2-5-13-19)20-14-6-3-7-15-20/h2-15,18H,1,16H2
InChIKeyYHNUEVQLPQMKFS-UHFFFAOYSA-N
MW273.38 g/mol
LogP5.12
Rot. Bonds5

About N-(2-cyclopenta-2,4-dien-1-ylprop-2-enyl)-N-phenylaniline

N-(2-cyclopenta-2,4-dien-1-ylprop-2-enyl)-N-phenylaniline (PubChem CID 175102826) has the molecular formula C20H19N and a molecular weight of 273.38 g/mol. Its IUPAC name is N-(2-cyclopenta-2,4-dien-1-ylprop-2-enyl)-N-phenylaniline.

Molecular Properties

Compound NameN-(2-cyclopenta-2,4-dien-1-ylprop-2-enyl)-N-phenylaniline
PubChem CID175102826
Molecular FormulaC20H19N
Molecular Weight273.38 g/mol
Exact Mass273.15
IUPAC NameN-(2-cyclopenta-2,4-dien-1-ylprop-2-enyl)-N-phenylaniline
SMILESC=C(CN(c1ccccc1)c1ccccc1)C1C=CC=C1
InChIInChI=1S/C20H19N/c1-17(18-10-8-9-11-18)16-21(19-12-4-2-5-13-19)20-14-6-3-7-15-20/h2-15,18H,1,16H2
InChIKeyYHNUEVQLPQMKFS-UHFFFAOYSA-N
XLogP5.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.38
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 N-(2-cyclopenta-2,4-dien-1-ylprop-2-enyl)-N-phenylaniline?
The IUPAC name of N-(2-cyclopenta-2,4-dien-1-ylprop-2-enyl)-N-phenylaniline (CID 175102826) is N-(2-cyclopenta-2,4-dien-1-ylprop-2-enyl)-N-phenylaniline.
What is the SMILES notation for N-(2-cyclopenta-2,4-dien-1-ylprop-2-enyl)-N-phenylaniline?
The canonical SMILES for N-(2-cyclopenta-2,4-dien-1-ylprop-2-enyl)-N-phenylaniline is C=C(CN(c1ccccc1)c1ccccc1)C1C=CC=C1.
What is the InChIKey of N-(2-cyclopenta-2,4-dien-1-ylprop-2-enyl)-N-phenylaniline?
The InChIKey is YHNUEVQLPQMKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N/c1-17(18-10-8-9-11-18)16-21(19-12-4-2-5-13-19)20-14-6-3-7-15-20/h2-15,18H,1,16H2.
What are the key properties of N-(2-cyclopenta-2,4-dien-1-ylprop-2-enyl)-N-phenylaniline?
N-(2-cyclopenta-2,4-dien-1-ylprop-2-enyl)-N-phenylaniline has a molecular weight of 273.38 g/mol, XLogP of 5.12, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopenta-2,4-dien-1-ylprop-2-enyl)-N-phenylaniline is sourced from PubChem (CID 175102826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).