N-but-3-yn-2-yl-N-methyl-2,3-dihydrofuran-5-carboxamide

C10H13NO2 — CID 130693755

IUPACN-but-3-yn-2-yl-N-methyl-2,3-dihydrofuran-5-carboxamide
SMILESC#CC(C)N(C)C(=O)C1=CCCO1
InChIInChI=1S/C10H13NO2/c1-4-8(2)11(3)10(12)9-6-5-7-13-9/h1,6,8H,5,7H2,2-3H3
InChIKeyMZSYCYYFZJXVLJ-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.77
Rot. Bonds2

About N-but-3-yn-2-yl-N-methyl-2,3-dihydrofuran-5-carboxamide

N-but-3-yn-2-yl-N-methyl-2,3-dihydrofuran-5-carboxamide (PubChem CID 130693755) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is N-but-3-yn-2-yl-N-methyl-2,3-dihydrofuran-5-carboxamide.

Molecular Properties

Compound NameN-but-3-yn-2-yl-N-methyl-2,3-dihydrofuran-5-carboxamide
PubChem CID130693755
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC NameN-but-3-yn-2-yl-N-methyl-2,3-dihydrofuran-5-carboxamide
SMILESC#CC(C)N(C)C(=O)C1=CCCO1
InChIInChI=1S/C10H13NO2/c1-4-8(2)11(3)10(12)9-6-5-7-13-9/h1,6,8H,5,7H2,2-3H3
InChIKeyMZSYCYYFZJXVLJ-UHFFFAOYSA-N
XLogP0.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-but-3-yn-2-yl-N-methyl-2,3-dihydrofuran-5-carboxamide?
The IUPAC name of N-but-3-yn-2-yl-N-methyl-2,3-dihydrofuran-5-carboxamide (CID 130693755) is N-but-3-yn-2-yl-N-methyl-2,3-dihydrofuran-5-carboxamide.
What is the SMILES notation for N-but-3-yn-2-yl-N-methyl-2,3-dihydrofuran-5-carboxamide?
The canonical SMILES for N-but-3-yn-2-yl-N-methyl-2,3-dihydrofuran-5-carboxamide is C#CC(C)N(C)C(=O)C1=CCCO1.
What is the InChIKey of N-but-3-yn-2-yl-N-methyl-2,3-dihydrofuran-5-carboxamide?
The InChIKey is MZSYCYYFZJXVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-4-8(2)11(3)10(12)9-6-5-7-13-9/h1,6,8H,5,7H2,2-3H3.
What are the key properties of N-but-3-yn-2-yl-N-methyl-2,3-dihydrofuran-5-carboxamide?
N-but-3-yn-2-yl-N-methyl-2,3-dihydrofuran-5-carboxamide has a molecular weight of 179.22 g/mol, XLogP of 0.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-yn-2-yl-N-methyl-2,3-dihydrofuran-5-carboxamide is sourced from PubChem (CID 130693755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).