5-[ethyl(2-methylprop-2-enyl)carbamoyl]furan-2-carboxylic acid

C12H15NO4 — CID 75356028

IUPAC5-[ethyl(2-methylprop-2-enyl)carbamoyl]furan-2-carboxylic acid
SMILESC=C(C)CN(CC)C(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C12H15NO4/c1-4-13(7-8(2)3)11(14)9-5-6-10(17-9)12(15)16/h5-6H,2,4,7H2,1,3H3,(H,15,16)
InChIKeyPRHBOKUWVPRJQU-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.02
Rot. Bonds5

About 5-[ethyl(2-methylprop-2-enyl)carbamoyl]furan-2-carboxylic acid

5-[ethyl(2-methylprop-2-enyl)carbamoyl]furan-2-carboxylic acid (PubChem CID 75356028) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 5-[ethyl(2-methylprop-2-enyl)carbamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[ethyl(2-methylprop-2-enyl)carbamoyl]furan-2-carboxylic acid
PubChem CID75356028
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name5-[ethyl(2-methylprop-2-enyl)carbamoyl]furan-2-carboxylic acid
SMILESC=C(C)CN(CC)C(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C12H15NO4/c1-4-13(7-8(2)3)11(14)9-5-6-10(17-9)12(15)16/h5-6H,2,4,7H2,1,3H3,(H,15,16)
InChIKeyPRHBOKUWVPRJQU-UHFFFAOYSA-N
XLogP2.02
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]sulfanylfuran-2-carboxylic acid
CID 63941810
4-(bromomethyl)-N-ethyl-N-(2-methylprop-2-enyl)benzamide
CID 102850823
5-benzoyl-N,N-diethylfuran-2-carboxamide
CID 692790
5-(bromomethyl)-N,N-diethylfuran-2-carboxamide
CID 134860219
2-[3-[ethyl(2-methylprop-2-enyl)carbamoyl]furan-2-yl]acetic acid
CID 114217732
2-chloro-N-ethyl-N-(2-methylprop-2-enyl)furan-3-carboxamide
CID 106685319
furan-2,5-dicarboxylic acid;indigane
CID 174700126
N-ethyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(2-methylprop-2-enyl)benzamide
CID 134008813
N-ethyl-3,5-dihydroxy-N-(2-methylprop-2-enyl)benzamide
CID 113347115
4-acetamido-N-ethyl-N-(2-methylprop-2-enyl)benzamide
CID 37012021
N-(2-chloroethyl)-N-ethyl-5-methylfuran-2-carboxamide
CID 63395497
N-ethyl-N-(2-methylprop-2-enyl)-4-phenylmethoxybenzamide
CID 55370161

Frequently Asked Questions

What is the IUPAC name of 5-[ethyl(2-methylprop-2-enyl)carbamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-[ethyl(2-methylprop-2-enyl)carbamoyl]furan-2-carboxylic acid (CID 75356028) is 5-[ethyl(2-methylprop-2-enyl)carbamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[ethyl(2-methylprop-2-enyl)carbamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[ethyl(2-methylprop-2-enyl)carbamoyl]furan-2-carboxylic acid is C=C(C)CN(CC)C(=O)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-[ethyl(2-methylprop-2-enyl)carbamoyl]furan-2-carboxylic acid?
The InChIKey is PRHBOKUWVPRJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-4-13(7-8(2)3)11(14)9-5-6-10(17-9)12(15)16/h5-6H,2,4,7H2,1,3H3,(H,15,16).
What are the key properties of 5-[ethyl(2-methylprop-2-enyl)carbamoyl]furan-2-carboxylic acid?
5-[ethyl(2-methylprop-2-enyl)carbamoyl]furan-2-carboxylic acid has a molecular weight of 237.25 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl(2-methylprop-2-enyl)carbamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 75356028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).