2-prop-2-enylbenzene-1,3-dicarboxamide

C11H12N2O2 — CID 67682969

IUPAC2-prop-2-enylbenzene-1,3-dicarboxamide
SMILESC=CCc1c(C(N)=O)cccc1C(N)=O
InChIInChI=1S/C11H12N2O2/c1-2-4-7-8(10(12)14)5-3-6-9(7)11(13)15/h2-3,5-6H,1,4H2,(H2,12,14)(H2,13,15)
InChIKeyUKLXCBXSYQXTGP-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.61
Rot. Bonds4

About 2-prop-2-enylbenzene-1,3-dicarboxamide

2-prop-2-enylbenzene-1,3-dicarboxamide (PubChem CID 67682969) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-prop-2-enylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name2-prop-2-enylbenzene-1,3-dicarboxamide
PubChem CID67682969
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name2-prop-2-enylbenzene-1,3-dicarboxamide
SMILESC=CCc1c(C(N)=O)cccc1C(N)=O
InChIInChI=1S/C11H12N2O2/c1-2-4-7-8(10(12)14)5-3-6-9(7)11(13)15/h2-3,5-6H,1,4H2,(H2,12,14)(H2,13,15)
InChIKeyUKLXCBXSYQXTGP-UHFFFAOYSA-N
XLogP0.61
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-but-3-enyl-3-methylbenzamide
CID 141019627
2,4-bis(hydroxymethyl)-3-prop-2-enylbenzamide
CID 57160384
3-amino-2-prop-2-enylbenzoic acid
CID 66692931
2-(hydroxymethyl)benzene-1,3-dicarboxamide
CID 70473851
dicyano 2-prop-2-enylbenzene-1,3-dicarboxylate
CID 21400003
1-(3-hydroxy-2-prop-2-enylphenyl)but-3-en-1-one
CID 174515544
1-[2,3-bis(prop-2-enyl)phenyl]ethanone
CID 173386054
2,3-bis(prop-2-enyl)benzoyl chloride
CID 87350245
2-(3,6-dimethyl-2-prop-2-enylphenyl)-1,3-dioxoisoindole-4-carboxamide
CID 70494866
2,3-diethylbenzamide;hydrofluoride
CID 175203586
bis(prop-2-enyl) 2,3-bis(prop-2-enyl)benzene-1,4-dicarboxylate
CID 18996410
2-hydroxybenzene-1,3-dicarboxamide
CID 22594874

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enylbenzene-1,3-dicarboxamide?
The IUPAC name of 2-prop-2-enylbenzene-1,3-dicarboxamide (CID 67682969) is 2-prop-2-enylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 2-prop-2-enylbenzene-1,3-dicarboxamide?
The canonical SMILES for 2-prop-2-enylbenzene-1,3-dicarboxamide is C=CCc1c(C(N)=O)cccc1C(N)=O.
What is the InChIKey of 2-prop-2-enylbenzene-1,3-dicarboxamide?
The InChIKey is UKLXCBXSYQXTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-2-4-7-8(10(12)14)5-3-6-9(7)11(13)15/h2-3,5-6H,1,4H2,(H2,12,14)(H2,13,15).
What are the key properties of 2-prop-2-enylbenzene-1,3-dicarboxamide?
2-prop-2-enylbenzene-1,3-dicarboxamide has a molecular weight of 204.23 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 67682969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).