(4-carbamoylphenyl) 2-methylprop-2-enoate

C11H11NO3 — CID 53440858

IUPAC(4-carbamoylphenyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(C(N)=O)cc1
InChIInChI=1S/C11H11NO3/c1-7(2)11(14)15-9-5-3-8(4-6-9)10(12)13/h3-6H,1H2,2H3,(H2,12,13)
InChIKeyPNAUPYPJZFBZHP-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.27
Rot. Bonds3

About (4-carbamoylphenyl) 2-methylprop-2-enoate

(4-carbamoylphenyl) 2-methylprop-2-enoate (PubChem CID 53440858) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is (4-carbamoylphenyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(4-carbamoylphenyl) 2-methylprop-2-enoate
PubChem CID53440858
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name(4-carbamoylphenyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(C(N)=O)cc1
InChIInChI=1S/C11H11NO3/c1-7(2)11(14)15-9-5-3-8(4-6-9)10(12)13/h3-6H,1H2,2H3,(H2,12,13)
InChIKeyPNAUPYPJZFBZHP-UHFFFAOYSA-N
XLogP1.27
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze (4-carbamoylphenyl) 2-methylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[4-(2-methylprop-2-enoyloxy)benzoyl]phenyl] 2-methylprop-2-enoate
CID 86688842
[4-(4-methoxybenzoyl)phenyl] 2-methylprop-2-enoate
CID 67394366
[4-(1,2,2-tricyanoethenyl)phenyl] 2-methylprop-2-enoate
CID 89002964
[4-[[4-[bis[4-(2-methylprop-2-enoyloxy)phenyl]methyl]phenyl]-[4-(2-methylprop-2-enoyloxy)phenyl]methyl]phenyl] 2-methylprop-2-enoate
CID 169009058
[4-bis[4-(2-methylprop-2-enoyloxy)phenyl]stibanylphenyl] 2-methylprop-2-enoate
CID 172846034
(4-ethoxyphenyl) 2-methylprop-2-enoate
CID 54374861
[4-(hydroxymethyl)phenyl] 2-methylprop-2-enoate
CID 18459584
[4-(2-methylprop-2-enoyloxy)phenyl] 3,4-dihydroxybenzoate
CID 156522744
2-methylprop-2-enoic acid;phenyl 2-methylprop-2-enoate
CID 69302463
2-[4-(2-methylprop-2-enoyloxy)benzoyl]oxyethanesulfonic acid
CID 58372354
[4-[(3E)-hexa-3,5-dien-3-yl]phenyl] 2-methylprop-2-enoate
CID 126523851
[4-[5-(2-methylprop-2-enoyloxy)hexa-1,3,5-trien-2-yl]phenyl] 2-methylprop-2-enoate
CID 123558143

Frequently Asked Questions

What is the IUPAC name of (4-carbamoylphenyl) 2-methylprop-2-enoate?
The IUPAC name of (4-carbamoylphenyl) 2-methylprop-2-enoate (CID 53440858) is (4-carbamoylphenyl) 2-methylprop-2-enoate.
What is the SMILES notation for (4-carbamoylphenyl) 2-methylprop-2-enoate?
The canonical SMILES for (4-carbamoylphenyl) 2-methylprop-2-enoate is C=C(C)C(=O)Oc1ccc(C(N)=O)cc1.
What is the InChIKey of (4-carbamoylphenyl) 2-methylprop-2-enoate?
The InChIKey is PNAUPYPJZFBZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-7(2)11(14)15-9-5-3-8(4-6-9)10(12)13/h3-6H,1H2,2H3,(H2,12,13).
What are the key properties of (4-carbamoylphenyl) 2-methylprop-2-enoate?
(4-carbamoylphenyl) 2-methylprop-2-enoate has a molecular weight of 205.21 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-carbamoylphenyl) 2-methylprop-2-enoate is sourced from PubChem (CID 53440858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).