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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Related Compounds

2-(N-(4-hydroxyphenyl)anilino)acetic acid
CID 138066877
4-tert-butyl-N-[(2Z)-2-tert-butylpenta-2,4-dienyl]-N-phenylaniline
CID 142315139
N-(iodomethyl)-N-phenylaniline
CID 59863595
5-(4-cyclopenta-2,4-dien-1-ylhexa-1,5-dien-2-yl)cyclopenta-1,3-diene
CID 102041805
4-[N-[2-(N-(4-hydroxyphenyl)anilino)ethyl]anilino]phenol
CID 58759192
lithium;hydride;N-phenyl-N-prop-2-enylaniline
CID 174146477
N-(5-methylidenehept-6-enyl)-N-phenylaniline
CID 121412697
2-[(N-ethenylanilino)methyl]prop-2-enoic acid
CID 70266572
2,5-bis[N-(hydroxymethyl)anilino]cyclohexa-2,5-diene-1,4-dione
CID 139763333
2-cyclobut-2-en-1-ylprop-2-enylbenzene
CID 11240731
[[(1E)-1-cyclopenta-2,4-dien-1-yl-3-methylbuta-1,3-dienyl]-phenylphosphoryl]benzene
CID 156774876
(9-acetyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-(N-phenylanilino)acetate
CID 170264716

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).