N-[(E)-but-2-en-2-yl]-N-prop-2-enylaniline

C13H17N — CID 142821122

IUPACN-[(E)-but-2-en-2-yl]-N-prop-2-enylaniline
SMILESC=CCN(/C(C)=C/C)c1ccccc1
InChIInChI=1S/C13H17N/c1-4-11-14(12(3)5-2)13-9-7-6-8-10-13/h4-10H,1,11H2,2-3H3/b12-5+
InChIKeyQGRYPAHATUSWQH-LFYBBSHMSA-N
MW187.29 g/mol
LogP3.60
Rot. Bonds4

About N-[(E)-but-2-en-2-yl]-N-prop-2-enylaniline

N-[(E)-but-2-en-2-yl]-N-prop-2-enylaniline (PubChem CID 142821122) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is N-[(E)-but-2-en-2-yl]-N-prop-2-enylaniline.

Molecular Properties

Compound NameN-[(E)-but-2-en-2-yl]-N-prop-2-enylaniline
PubChem CID142821122
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC NameN-[(E)-but-2-en-2-yl]-N-prop-2-enylaniline
SMILESC=CCN(/C(C)=C/C)c1ccccc1
InChIInChI=1S/C13H17N/c1-4-11-14(12(3)5-2)13-9-7-6-8-10-13/h4-10H,1,11H2,2-3H3/b12-5+
InChIKeyQGRYPAHATUSWQH-LFYBBSHMSA-N
XLogP3.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.60
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-chloro-N-phenyl-N-prop-2-enylpropanamide
CID 14417035
1-phenyl-1-prop-2-enylguanidine
CID 95911307
2,2,2-trichloro-N-phenyl-N-prop-2-enylacetamide
CID 10901943
2,3,3,3-tetrafluoro-2-methyl-N-phenyl-N-prop-2-enylpropanamide
CID 118052424
N-phenyl-N-prop-2-enylcyclopropanecarboxamide
CID 78836355
N-ethyl-N-phenyl-N',N'-bis(prop-2-enyl)oxamide
CID 108516722
3-methyl-N-phenyl-N-prop-2-enylbenzamide
CID 78794859
lithium;hydride;N-phenyl-N-prop-2-enylaniline
CID 174146477
2-fluoro-N-phenyl-N-prop-2-enylbenzamide
CID 78795026
tert-butyl N-[1-oxo-1-(N-prop-2-enylanilino)pent-4-en-2-yl]carbamate
CID 77475220
3-(benzenecarbonothioyl)-1-phenyl-1-prop-2-enylurea
CID 2958860
2-(3-fluorophenoxy)-N-phenyl-N-prop-2-enylpropanamide
CID 78852544

Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-en-2-yl]-N-prop-2-enylaniline?
The IUPAC name of N-[(E)-but-2-en-2-yl]-N-prop-2-enylaniline (CID 142821122) is N-[(E)-but-2-en-2-yl]-N-prop-2-enylaniline.
What is the SMILES notation for N-[(E)-but-2-en-2-yl]-N-prop-2-enylaniline?
The canonical SMILES for N-[(E)-but-2-en-2-yl]-N-prop-2-enylaniline is C=CCN(/C(C)=C/C)c1ccccc1.
What is the InChIKey of N-[(E)-but-2-en-2-yl]-N-prop-2-enylaniline?
The InChIKey is QGRYPAHATUSWQH-LFYBBSHMSA-N. The full InChI is InChI=1S/C13H17N/c1-4-11-14(12(3)5-2)13-9-7-6-8-10-13/h4-10H,1,11H2,2-3H3/b12-5+.
What are the key properties of N-[(E)-but-2-en-2-yl]-N-prop-2-enylaniline?
N-[(E)-but-2-en-2-yl]-N-prop-2-enylaniline has a molecular weight of 187.29 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-en-2-yl]-N-prop-2-enylaniline is sourced from PubChem (CID 142821122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).