N-but-3-ynyl-2,3-dihydrofuran-5-carboxamide

C9H11NO2 — CID 130742292

IUPACN-but-3-ynyl-2,3-dihydrofuran-5-carboxamide
SMILESC#CCCNC(=O)C1=CCCO1
InChIInChI=1S/C9H11NO2/c1-2-3-6-10-9(11)8-5-4-7-12-8/h1,5H,3-4,6-7H2,(H,10,11)
InChIKeyHGTHHDYSSBYAOQ-UHFFFAOYSA-N
MW165.19 g/mol
LogP0.43
Rot. Bonds3

About N-but-3-ynyl-2,3-dihydrofuran-5-carboxamide

N-but-3-ynyl-2,3-dihydrofuran-5-carboxamide (PubChem CID 130742292) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is N-but-3-ynyl-2,3-dihydrofuran-5-carboxamide.

Molecular Properties

Compound NameN-but-3-ynyl-2,3-dihydrofuran-5-carboxamide
PubChem CID130742292
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC NameN-but-3-ynyl-2,3-dihydrofuran-5-carboxamide
SMILESC#CCCNC(=O)C1=CCCO1
InChIInChI=1S/C9H11NO2/c1-2-3-6-10-9(11)8-5-4-7-12-8/h1,5H,3-4,6-7H2,(H,10,11)
InChIKeyHGTHHDYSSBYAOQ-UHFFFAOYSA-N
XLogP0.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-but-3-ynyl-2,3-dihydrofuran-5-carboxamide?
The IUPAC name of N-but-3-ynyl-2,3-dihydrofuran-5-carboxamide (CID 130742292) is N-but-3-ynyl-2,3-dihydrofuran-5-carboxamide.
What is the SMILES notation for N-but-3-ynyl-2,3-dihydrofuran-5-carboxamide?
The canonical SMILES for N-but-3-ynyl-2,3-dihydrofuran-5-carboxamide is C#CCCNC(=O)C1=CCCO1.
What is the InChIKey of N-but-3-ynyl-2,3-dihydrofuran-5-carboxamide?
The InChIKey is HGTHHDYSSBYAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-2-3-6-10-9(11)8-5-4-7-12-8/h1,5H,3-4,6-7H2,(H,10,11).
What are the key properties of N-but-3-ynyl-2,3-dihydrofuran-5-carboxamide?
N-but-3-ynyl-2,3-dihydrofuran-5-carboxamide has a molecular weight of 165.19 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-ynyl-2,3-dihydrofuran-5-carboxamide is sourced from PubChem (CID 130742292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).