N-pent-1-yn-3-yl-2,3-dihydro-1-benzofuran-3-carboxamide

C14H15NO2 — CID 103579233

IUPACN-pent-1-yn-3-yl-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESC#CC(CC)NC(=O)C1COc2ccccc21
InChIInChI=1S/C14H15NO2/c1-3-10(4-2)15-14(16)12-9-17-13-8-6-5-7-11(12)13/h1,5-8,10,12H,4,9H2,2H3,(H,15,16)
InChIKeySPBISNMVIUCKEM-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.69
Rot. Bonds3

About N-pent-1-yn-3-yl-2,3-dihydro-1-benzofuran-3-carboxamide

N-pent-1-yn-3-yl-2,3-dihydro-1-benzofuran-3-carboxamide (PubChem CID 103579233) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is N-pent-1-yn-3-yl-2,3-dihydro-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-pent-1-yn-3-yl-2,3-dihydro-1-benzofuran-3-carboxamide
PubChem CID103579233
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC NameN-pent-1-yn-3-yl-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESC#CC(CC)NC(=O)C1COc2ccccc21
InChIInChI=1S/C14H15NO2/c1-3-10(4-2)15-14(16)12-9-17-13-8-6-5-7-11(12)13/h1,5-8,10,12H,4,9H2,2H3,(H,15,16)
InChIKeySPBISNMVIUCKEM-UHFFFAOYSA-N
XLogP1.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.69
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

(3S)-N-[(2R)-1-cyanopropan-2-yl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 95359121
N-(4-chlorobutan-2-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 83179536
N-(1-aminohexan-2-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 80697516
(3S)-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 97213546
N-(4-amino-4-hydroxyiminobutan-2-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 77020855
bis(2,3-dihydro-1-benzofuran-3-yl)methanone
CID 174352835
methyl (3S)-2,3-dihydro-1-benzofuran-3-carboxylate
CID 95340884
(3S)-N-[(1R,2R)-2-ethylcyclopropyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 99808270
N-(4-amino-1-methoxybutan-2-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 106152017
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 77038856
N-but-3-yn-2-yl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 114390057
N-(4-hydroxy-2-methylbutyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 66107336

Frequently Asked Questions

What is the IUPAC name of N-pent-1-yn-3-yl-2,3-dihydro-1-benzofuran-3-carboxamide?
The IUPAC name of N-pent-1-yn-3-yl-2,3-dihydro-1-benzofuran-3-carboxamide (CID 103579233) is N-pent-1-yn-3-yl-2,3-dihydro-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-pent-1-yn-3-yl-2,3-dihydro-1-benzofuran-3-carboxamide?
The canonical SMILES for N-pent-1-yn-3-yl-2,3-dihydro-1-benzofuran-3-carboxamide is C#CC(CC)NC(=O)C1COc2ccccc21.
What is the InChIKey of N-pent-1-yn-3-yl-2,3-dihydro-1-benzofuran-3-carboxamide?
The InChIKey is SPBISNMVIUCKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-3-10(4-2)15-14(16)12-9-17-13-8-6-5-7-11(12)13/h1,5-8,10,12H,4,9H2,2H3,(H,15,16).
What are the key properties of N-pent-1-yn-3-yl-2,3-dihydro-1-benzofuran-3-carboxamide?
N-pent-1-yn-3-yl-2,3-dihydro-1-benzofuran-3-carboxamide has a molecular weight of 229.28 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-1-yn-3-yl-2,3-dihydro-1-benzofuran-3-carboxamide is sourced from PubChem (CID 103579233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).