2-N-(2-hydroxyprop-2-enyl)benzene-1,2-dicarboxamide

C11H12N2O3 — CID 68860620

IUPAC2-N-(2-hydroxyprop-2-enyl)benzene-1,2-dicarboxamide
SMILESC=C(O)CNC(=O)c1ccccc1C(N)=O
InChIInChI=1S/C11H12N2O3/c1-7(14)6-13-11(16)9-5-3-2-4-8(9)10(12)15/h2-5,14H,1,6H2,(H2,12,15)(H,13,16)
InChIKeyYPWFQIWMBKGFCB-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.59
Rot. Bonds4

About 2-N-(2-hydroxyprop-2-enyl)benzene-1,2-dicarboxamide

2-N-(2-hydroxyprop-2-enyl)benzene-1,2-dicarboxamide (PubChem CID 68860620) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 2-N-(2-hydroxyprop-2-enyl)benzene-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-(2-hydroxyprop-2-enyl)benzene-1,2-dicarboxamide
PubChem CID68860620
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name2-N-(2-hydroxyprop-2-enyl)benzene-1,2-dicarboxamide
SMILESC=C(O)CNC(=O)c1ccccc1C(N)=O
InChIInChI=1S/C11H12N2O3/c1-7(14)6-13-11(16)9-5-3-2-4-8(9)10(12)15/h2-5,14H,1,6H2,(H2,12,15)(H,13,16)
InChIKeyYPWFQIWMBKGFCB-UHFFFAOYSA-N
XLogP0.59
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-N-(sulfanylmethyl)benzene-1,2-dicarboxamide
CID 21410227
2-hydroxyacetic acid;2-N-prop-2-enylbenzene-1,2-dicarboxamide
CID 159607407
benzene-1,2-dicarboxamide;hydrazine
CID 158131121
CID 67588186
CID 67588186
2-carbamoylbenzoic acid;1,1-dichloroethene
CID 175332262
2-[(carbamothioylamino)carbamoyl]benzamide
CID 15536924
2-N-acetylbenzene-1,2-dicarboxamide
CID 19607558
N-(2-amino-2-oxoethyl)naphthalene-1-carboxamide
CID 4059241
2-[[2-(aminomethyl)benzoyl]amino]acetic acid
CID 57129733
2-N-(1-phenylethyl)benzene-1,2-dicarboxamide
CID 22396198
N-(2-bromoprop-2-enyl)-2-fluorobenzamide
CID 115594605
benzene;2-hydroxybenzamide
CID 157085280

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-hydroxyprop-2-enyl)benzene-1,2-dicarboxamide?
The IUPAC name of 2-N-(2-hydroxyprop-2-enyl)benzene-1,2-dicarboxamide (CID 68860620) is 2-N-(2-hydroxyprop-2-enyl)benzene-1,2-dicarboxamide.
What is the SMILES notation for 2-N-(2-hydroxyprop-2-enyl)benzene-1,2-dicarboxamide?
The canonical SMILES for 2-N-(2-hydroxyprop-2-enyl)benzene-1,2-dicarboxamide is C=C(O)CNC(=O)c1ccccc1C(N)=O.
What is the InChIKey of 2-N-(2-hydroxyprop-2-enyl)benzene-1,2-dicarboxamide?
The InChIKey is YPWFQIWMBKGFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-7(14)6-13-11(16)9-5-3-2-4-8(9)10(12)15/h2-5,14H,1,6H2,(H2,12,15)(H,13,16).
What are the key properties of 2-N-(2-hydroxyprop-2-enyl)benzene-1,2-dicarboxamide?
2-N-(2-hydroxyprop-2-enyl)benzene-1,2-dicarboxamide has a molecular weight of 220.23 g/mol, XLogP of 0.59, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-hydroxyprop-2-enyl)benzene-1,2-dicarboxamide is sourced from PubChem (CID 68860620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).