5-(pent-4-ynylcarbamoyl)furan-2-carboxylic acid

C11H11NO4 — CID 106223158

IUPAC5-(pent-4-ynylcarbamoyl)furan-2-carboxylic acid
SMILESC#CCCCNC(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C11H11NO4/c1-2-3-4-7-12-10(13)8-5-6-9(16-8)11(14)15/h1,5-6H,3-4,7H2,(H,12,13)(H,14,15)
InChIKeyQJFBUFRZXCMBSN-UHFFFAOYSA-N
MW221.21 g/mol
LogP1.12
Rot. Bonds5

About 5-(pent-4-ynylcarbamoyl)furan-2-carboxylic acid

5-(pent-4-ynylcarbamoyl)furan-2-carboxylic acid (PubChem CID 106223158) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is 5-(pent-4-ynylcarbamoyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(pent-4-ynylcarbamoyl)furan-2-carboxylic acid
PubChem CID106223158
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Name5-(pent-4-ynylcarbamoyl)furan-2-carboxylic acid
SMILESC#CCCCNC(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C11H11NO4/c1-2-3-4-7-12-10(13)8-5-6-9(16-8)11(14)15/h1,5-6H,3-4,7H2,(H,12,13)(H,14,15)
InChIKeyQJFBUFRZXCMBSN-UHFFFAOYSA-N
XLogP1.12
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-pent-4-ynylfuran-2-carboxamide
CID 103708847
5-(hex-5-ynylcarbamoyl)thiophene-2-carboxylic acid
CID 106216658
2,6-dimethyl-N-pent-4-ynylbenzamide
CID 103714373
2-chloro-N-pent-4-ynylfuran-3-carboxamide
CID 106812151
2-(3,4-dichlorophenyl)-N-pent-4-ynylacetamide
CID 103709115
N-pent-4-ynylpyridine-3-carboxamide
CID 103709101
5-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]furan-2-carboxylic acid
CID 114162732
2-naphthalen-2-yl-N-pent-4-ynylacetamide
CID 103709060
3,4-dimethyl-N-pent-4-ynylbenzamide
CID 103708908
2-(4-aminophenyl)-N-hex-5-ynylacetamide
CID 106208123
2-iodo-N-pent-4-ynylbenzamide
CID 103709110
N-pent-4-ynylpyrazine-2-carboxamide
CID 103709111

Frequently Asked Questions

What is the IUPAC name of 5-(pent-4-ynylcarbamoyl)furan-2-carboxylic acid?
The IUPAC name of 5-(pent-4-ynylcarbamoyl)furan-2-carboxylic acid (CID 106223158) is 5-(pent-4-ynylcarbamoyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(pent-4-ynylcarbamoyl)furan-2-carboxylic acid?
The canonical SMILES for 5-(pent-4-ynylcarbamoyl)furan-2-carboxylic acid is C#CCCCNC(=O)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-(pent-4-ynylcarbamoyl)furan-2-carboxylic acid?
The InChIKey is QJFBUFRZXCMBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4/c1-2-3-4-7-12-10(13)8-5-6-9(16-8)11(14)15/h1,5-6H,3-4,7H2,(H,12,13)(H,14,15).
What are the key properties of 5-(pent-4-ynylcarbamoyl)furan-2-carboxylic acid?
5-(pent-4-ynylcarbamoyl)furan-2-carboxylic acid has a molecular weight of 221.21 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pent-4-ynylcarbamoyl)furan-2-carboxylic acid is sourced from PubChem (CID 106223158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).