5-methyl-N-pent-3-ynylfuran-3-carboxamide

C11H13NO2 — CID 114822799

IUPAC5-methyl-N-pent-3-ynylfuran-3-carboxamide
SMILESCC#CCCNC(=O)c1coc(C)c1
InChIInChI=1S/C11H13NO2/c1-3-4-5-6-12-11(13)10-7-9(2)14-8-10/h7-8H,5-6H2,1-2H3,(H,12,13)
InChIKeyTZVQAAYBIYWNLT-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.73
Rot. Bonds3

About 5-methyl-N-pent-3-ynylfuran-3-carboxamide

5-methyl-N-pent-3-ynylfuran-3-carboxamide (PubChem CID 114822799) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 5-methyl-N-pent-3-ynylfuran-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-pent-3-ynylfuran-3-carboxamide
PubChem CID114822799
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name5-methyl-N-pent-3-ynylfuran-3-carboxamide
SMILESCC#CCCNC(=O)c1coc(C)c1
InChIInChI=1S/C11H13NO2/c1-3-4-5-6-12-11(13)10-7-9(2)14-8-10/h7-8H,5-6H2,1-2H3,(H,12,13)
InChIKeyTZVQAAYBIYWNLT-UHFFFAOYSA-N
XLogP1.73
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.73
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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Related Compounds

N-(2-cyanoethyl)-5-methylfuran-3-carboxamide
CID 114820618
(E)-3-[4-(pent-3-ynylcarbamoyl)furan-2-yl]prop-2-enoic acid
CID 166357885
5-methyl-N-[3-(methylamino)propyl]furan-3-carboxamide
CID 114819329
N-(5-hydroxypentyl)-5-methylfuran-3-carboxamide
CID 107319220
3-amino-4-methyl-N-pent-3-ynylbenzamide
CID 116642528
4-hydroxy-3-methyl-N-pent-3-ynylbenzamide
CID 104581098
4-methyl-N-pent-3-ynyl-1,3-oxazole-5-carboxamide
CID 104581007
4-(aminomethyl)-N-pent-3-ynylbenzamide
CID 116644093
2-methyl-5-[(5-methylfuran-3-carbonyl)amino]pentanoic acid
CID 114819196
N-(2-bromoprop-2-enyl)-5-methylfuran-3-carboxamide
CID 114821704
N-[3-(2-chloroethoxy)propyl]-5-methylfuran-3-carboxamide
CID 106306849
3-(dimethylamino)-N-pent-3-ynylbenzamide
CID 115977332

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-pent-3-ynylfuran-3-carboxamide?
The IUPAC name of 5-methyl-N-pent-3-ynylfuran-3-carboxamide (CID 114822799) is 5-methyl-N-pent-3-ynylfuran-3-carboxamide.
What is the SMILES notation for 5-methyl-N-pent-3-ynylfuran-3-carboxamide?
The canonical SMILES for 5-methyl-N-pent-3-ynylfuran-3-carboxamide is CC#CCCNC(=O)c1coc(C)c1.
What is the InChIKey of 5-methyl-N-pent-3-ynylfuran-3-carboxamide?
The InChIKey is TZVQAAYBIYWNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-3-4-5-6-12-11(13)10-7-9(2)14-8-10/h7-8H,5-6H2,1-2H3,(H,12,13).
What are the key properties of 5-methyl-N-pent-3-ynylfuran-3-carboxamide?
5-methyl-N-pent-3-ynylfuran-3-carboxamide has a molecular weight of 191.23 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-pent-3-ynylfuran-3-carboxamide is sourced from PubChem (CID 114822799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).