methyl (E)-3-(3-carbamoylphenyl)prop-2-enoate

C11H11NO3 — CID 10130452

IUPACmethyl (E)-3-(3-carbamoylphenyl)prop-2-enoate
SMILESCOC(=O)/C=C/c1cccc(C(N)=O)c1
InChIInChI=1S/C11H11NO3/c1-15-10(13)6-5-8-3-2-4-9(7-8)11(12)14/h2-7H,1H3,(H2,12,14)/b6-5+
InChIKeySUPBLZNDCNGJTF-AATRIKPKSA-N
MW205.21 g/mol
LogP0.97
Rot. Bonds3

About methyl (E)-3-(3-carbamoylphenyl)prop-2-enoate

methyl (E)-3-(3-carbamoylphenyl)prop-2-enoate (PubChem CID 10130452) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is methyl (E)-3-(3-carbamoylphenyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-(3-carbamoylphenyl)prop-2-enoate
PubChem CID10130452
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Namemethyl (E)-3-(3-carbamoylphenyl)prop-2-enoate
SMILESCOC(=O)/C=C/c1cccc(C(N)=O)c1
InChIInChI=1S/C11H11NO3/c1-15-10(13)6-5-8-3-2-4-9(7-8)11(12)14/h2-7H,1H3,(H2,12,14)/b6-5+
InChIKeySUPBLZNDCNGJTF-AATRIKPKSA-N
XLogP0.97
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 ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

m-Toluamide
CID 69253
Isophthalamide
CID 74445
2,3-Dimethylbenzamide
CID 2800987
3-Formylbenzamide
CID 10630670
N-hydroxy-3-methylbenzamide
CID 4288771
N-Methoxybenzamide
CID 12355457
Methyl 3-(aminomethyl)benzoate
CID 2794826
3-(3-Carbamoyl-phenyl)-acrylic acid benzyl ester
CID 10540769
3-(3-Carbamoyl-phenyl)-2-cyano-acrylic acid ethyl ester
CID 10776667
3,5-Dimethylbenzamide
CID 319485
3-Acetylbenzamide
CID 23279231
Benzene-1,3,5-tricarboxamide
CID 448554

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-(3-carbamoylphenyl)prop-2-enoate?
The IUPAC name of methyl (E)-3-(3-carbamoylphenyl)prop-2-enoate (CID 10130452) is methyl (E)-3-(3-carbamoylphenyl)prop-2-enoate.
What is the SMILES notation for methyl (E)-3-(3-carbamoylphenyl)prop-2-enoate?
The canonical SMILES for methyl (E)-3-(3-carbamoylphenyl)prop-2-enoate is COC(=O)/C=C/c1cccc(C(N)=O)c1.
What is the InChIKey of methyl (E)-3-(3-carbamoylphenyl)prop-2-enoate?
The InChIKey is SUPBLZNDCNGJTF-AATRIKPKSA-N. The full InChI is InChI=1S/C11H11NO3/c1-15-10(13)6-5-8-3-2-4-9(7-8)11(12)14/h2-7H,1H3,(H2,12,14)/b6-5+.
What are the key properties of methyl (E)-3-(3-carbamoylphenyl)prop-2-enoate?
methyl (E)-3-(3-carbamoylphenyl)prop-2-enoate has a molecular weight of 205.21 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-(3-carbamoylphenyl)prop-2-enoate is sourced from PubChem (CID 10130452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).