[(E)-but-2-enyl] N-(3,4-dichlorophenyl)carbamate

C11H11Cl2NO2 — CID 134122952

IUPAC[(E)-but-2-enyl] N-(3,4-dichlorophenyl)carbamate
SMILESC/C=C/COC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H11Cl2NO2/c1-2-3-6-16-11(15)14-8-4-5-9(12)10(13)7-8/h2-5,7H,6H2,1H3,(H,14,15)/b3-2+
InChIKeyAPDYHRBMKLKBBL-NSCUHMNNSA-N
MW260.12 g/mol
LogP4.12
Rot. Bonds3

About [(E)-but-2-enyl] N-(3,4-dichlorophenyl)carbamate

[(E)-but-2-enyl] N-(3,4-dichlorophenyl)carbamate (PubChem CID 134122952) has the molecular formula C11H11Cl2NO2 and a molecular weight of 260.12 g/mol. Its IUPAC name is [(E)-but-2-enyl] N-(3,4-dichlorophenyl)carbamate.

Molecular Properties

Compound Name[(E)-but-2-enyl] N-(3,4-dichlorophenyl)carbamate
PubChem CID134122952
Molecular FormulaC11H11Cl2NO2
Molecular Weight260.12 g/mol
Exact Mass259.02
IUPAC Name[(E)-but-2-enyl] N-(3,4-dichlorophenyl)carbamate
SMILESC/C=C/COC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H11Cl2NO2/c1-2-3-6-16-11(15)14-8-4-5-9(12)10(13)7-8/h2-5,7H,6H2,1H3,(H,14,15)/b3-2+
InChIKeyAPDYHRBMKLKBBL-NSCUHMNNSA-N
XLogP4.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.12
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(3,4-dichlorophenyl)carbamoyloxy]ethyl propanoate
CID 159240658
2-[(3,4-dichlorophenyl)carbamoyloxy]ethyl 3-methylbutanoate
CID 159240660
2-(propan-2-ylamino)ethyl N-(3,4-dichlorophenyl)carbamate
CID 79337426
(2,4-dichlorophenyl)methyl N-(3,4-dichlorophenyl)carbamate
CID 27102174
(2S)-2-amino-N-(3,4-dichlorophenyl)propanamide
CID 22690595
ethyl N-(3-chloro-4-hydroxyphenyl)carbamate
CID 64787909
4-amino-N-(3,4-dichlorophenyl)butanamide;hydrochloride
CID 119262031
[2-(3,4-dichloroanilino)-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate
CID 3644407
propan-2-yl 3-(3,4-dichloroanilino)-3-oxopropanoate
CID 131843684
2-aminoethyl N-(3-chloro-4-methylphenyl)carbamate
CID 79336918
(3,5-dichlorophenyl) N-(3,4-dichlorophenyl)carbamate
CID 4318743
(2S)-2-[(3,4-dichlorophenyl)carbamoyloxy]-4-methylpentanoic acid
CID 57172176

Frequently Asked Questions

What is the IUPAC name of [(E)-but-2-enyl] N-(3,4-dichlorophenyl)carbamate?
The IUPAC name of [(E)-but-2-enyl] N-(3,4-dichlorophenyl)carbamate (CID 134122952) is [(E)-but-2-enyl] N-(3,4-dichlorophenyl)carbamate.
What is the SMILES notation for [(E)-but-2-enyl] N-(3,4-dichlorophenyl)carbamate?
The canonical SMILES for [(E)-but-2-enyl] N-(3,4-dichlorophenyl)carbamate is C/C=C/COC(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of [(E)-but-2-enyl] N-(3,4-dichlorophenyl)carbamate?
The InChIKey is APDYHRBMKLKBBL-NSCUHMNNSA-N. The full InChI is InChI=1S/C11H11Cl2NO2/c1-2-3-6-16-11(15)14-8-4-5-9(12)10(13)7-8/h2-5,7H,6H2,1H3,(H,14,15)/b3-2+.
What are the key properties of [(E)-but-2-enyl] N-(3,4-dichlorophenyl)carbamate?
[(E)-but-2-enyl] N-(3,4-dichlorophenyl)carbamate has a molecular weight of 260.12 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-but-2-enyl] N-(3,4-dichlorophenyl)carbamate is sourced from PubChem (CID 134122952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).