methyl 2-[(2-chlorophenyl)carbamoyloxy]-3-methylbut-3-enoate

C13H14ClNO4 — CID 22150907

IUPACmethyl 2-[(2-chlorophenyl)carbamoyloxy]-3-methylbut-3-enoate
SMILESC=C(C)C(OC(=O)Nc1ccccc1Cl)C(=O)OC
InChIInChI=1S/C13H14ClNO4/c1-8(2)11(12(16)18-3)19-13(17)15-10-7-5-4-6-9(10)14/h4-7,11H,1H2,2-3H3,(H,15,17)
InChIKeyPHRBFXREOJCQLB-UHFFFAOYSA-N
MW283.71 g/mol
LogP3.01
Rot. Bonds4

About methyl 2-[(2-chlorophenyl)carbamoyloxy]-3-methylbut-3-enoate

methyl 2-[(2-chlorophenyl)carbamoyloxy]-3-methylbut-3-enoate (PubChem CID 22150907) has the molecular formula C13H14ClNO4 and a molecular weight of 283.71 g/mol. Its IUPAC name is methyl 2-[(2-chlorophenyl)carbamoyloxy]-3-methylbut-3-enoate.

Molecular Properties

Compound Namemethyl 2-[(2-chlorophenyl)carbamoyloxy]-3-methylbut-3-enoate
PubChem CID22150907
Molecular FormulaC13H14ClNO4
Molecular Weight283.71 g/mol
Exact Mass283.06
IUPAC Namemethyl 2-[(2-chlorophenyl)carbamoyloxy]-3-methylbut-3-enoate
SMILESC=C(C)C(OC(=O)Nc1ccccc1Cl)C(=O)OC
InChIInChI=1S/C13H14ClNO4/c1-8(2)11(12(16)18-3)19-13(17)15-10-7-5-4-6-9(10)14/h4-7,11H,1H2,2-3H3,(H,15,17)
InChIKeyPHRBFXREOJCQLB-UHFFFAOYSA-N
XLogP3.01
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.71
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(2,5-dichlorophenyl)carbamoyloxy]-3-methylbut-3-enoate
CID 22150921
methyl 2-[(4-chloro-2-fluorophenyl)carbamoyloxy]-3-methylbut-3-enoate
CID 57094728
1-phenylethyl N-(2-chlorophenyl)carbamate
CID 174361176
methyl (2S)-2-[(2-chlorophenyl)carbamoylamino]propanoate
CID 940051
ethyl 2-[(4-chloro-2-fluorophenyl)carbamoyloxy]-3-methylbut-3-enoate
CID 57224086
ethyl 2-(2-chloroanilino)-3-methylbut-3-enoate
CID 114784506
2-amino-N-(2-chlorophenyl)propanamide
CID 24704539
methyl 2-[(4-chloro-2-fluoro-5-propan-2-ylthiophen-3-yl)carbamoyloxy]-3-methylbut-3-enoate
CID 139744986
O-methyl N-(2-chlorophenyl)carbamothioate
CID 2741365
[1-(2-chloroanilino)-1-oxopropan-2-yl] 2-(2,6-dichlorophenyl)acetate
CID 55417653
dimethyl 2-(2-chlorophenyl)propanedioate
CID 18710443
methyl 3-methyl-2-(2-methylanilino)but-3-enoate
CID 114784500

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-chlorophenyl)carbamoyloxy]-3-methylbut-3-enoate?
The IUPAC name of methyl 2-[(2-chlorophenyl)carbamoyloxy]-3-methylbut-3-enoate (CID 22150907) is methyl 2-[(2-chlorophenyl)carbamoyloxy]-3-methylbut-3-enoate.
What is the SMILES notation for methyl 2-[(2-chlorophenyl)carbamoyloxy]-3-methylbut-3-enoate?
The canonical SMILES for methyl 2-[(2-chlorophenyl)carbamoyloxy]-3-methylbut-3-enoate is C=C(C)C(OC(=O)Nc1ccccc1Cl)C(=O)OC.
What is the InChIKey of methyl 2-[(2-chlorophenyl)carbamoyloxy]-3-methylbut-3-enoate?
The InChIKey is PHRBFXREOJCQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO4/c1-8(2)11(12(16)18-3)19-13(17)15-10-7-5-4-6-9(10)14/h4-7,11H,1H2,2-3H3,(H,15,17).
What are the key properties of methyl 2-[(2-chlorophenyl)carbamoyloxy]-3-methylbut-3-enoate?
methyl 2-[(2-chlorophenyl)carbamoyloxy]-3-methylbut-3-enoate has a molecular weight of 283.71 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-chlorophenyl)carbamoyloxy]-3-methylbut-3-enoate is sourced from PubChem (CID 22150907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).