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

C9H11NO2 — CID 130622044

IUPACN-but-2-ynyl-2,3-dihydrofuran-5-carboxamide
SMILESCC#CCNC(=O)C1=CCCO1
InChIInChI=1S/C9H11NO2/c1-2-3-6-10-9(11)8-5-4-7-12-8/h5H,4,6-7H2,1H3,(H,10,11)
InChIKeyJFYZLBFPKSWLBM-UHFFFAOYSA-N
MW165.19 g/mol
LogP0.43
Rot. Bonds2

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

N-but-2-ynyl-2,3-dihydrofuran-5-carboxamide (PubChem CID 130622044) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is N-but-2-ynyl-2,3-dihydrofuran-5-carboxamide.

Molecular Properties

Compound NameN-but-2-ynyl-2,3-dihydrofuran-5-carboxamide
PubChem CID130622044
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC NameN-but-2-ynyl-2,3-dihydrofuran-5-carboxamide
SMILESCC#CCNC(=O)C1=CCCO1
InChIInChI=1S/C9H11NO2/c1-2-3-6-10-9(11)8-5-4-7-12-8/h5H,4,6-7H2,1H3,(H,10,11)
InChIKeyJFYZLBFPKSWLBM-UHFFFAOYSA-N
XLogP0.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

6-Methyl-3-ethoxy-5,6-dihydro-2-pyridinol
CID 134612800
N-(2-fluoroethyl)-2,3-dihydrofuran-5-carboxamide
CID 130723672
N-(2-oxobutyl)-2,3-dihydrofuran-5-carboxamide
CID 89020241
2-ethyl-N-methyl-2,3-dihydrofuran-5-carboxamide
CID 89324206
N-methyl-2,3-dihydrofuran-5-carboxamide
CID 89344938
N-ethyl-2-methyl-2H-oxete-4-carboxamide
CID 91411197
N-ethyl-2-methyl-2,3-dihydrofuran-5-carboxamide
CID 164015740
N-[2-(methylamino)ethyl]-2,3-dihydrofuran-5-carboxamide
CID 164089218
Methyl 2-(2,3-dihydrofuran-5-carbonylamino)acetate
CID 170040965
5-methoxy-4-oxo-N-propyl-4H-pyran-2-carboxamide
CID 45537834
N-butyl-5-methoxy-4-oxo-4H-pyran-2-carboxamide
CID 45537835
N-isopropyl-5-methoxy-4-oxo-4H-pyran-2-carboxamide
CID 45537836

Frequently Asked Questions

What is the IUPAC name of N-but-2-ynyl-2,3-dihydrofuran-5-carboxamide?
The IUPAC name of N-but-2-ynyl-2,3-dihydrofuran-5-carboxamide (CID 130622044) is N-but-2-ynyl-2,3-dihydrofuran-5-carboxamide.
What is the SMILES notation for N-but-2-ynyl-2,3-dihydrofuran-5-carboxamide?
The canonical SMILES for N-but-2-ynyl-2,3-dihydrofuran-5-carboxamide is CC#CCNC(=O)C1=CCCO1.
What is the InChIKey of N-but-2-ynyl-2,3-dihydrofuran-5-carboxamide?
The InChIKey is JFYZLBFPKSWLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-2-3-6-10-9(11)8-5-4-7-12-8/h5H,4,6-7H2,1H3,(H,10,11).
What are the key properties of N-but-2-ynyl-2,3-dihydrofuran-5-carboxamide?
N-but-2-ynyl-2,3-dihydrofuran-5-carboxamide has a molecular weight of 165.19 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-2-ynyl-2,3-dihydrofuran-5-carboxamide is sourced from PubChem (CID 130622044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).