N-(2-cyanoethyl)-5-ethylfuran-2-carboxamide

C10H12N2O2 — CID 112726773

IUPACN-(2-cyanoethyl)-5-ethylfuran-2-carboxamide
SMILESCCc1ccc(C(=O)NCCC#N)o1
InChIInChI=1S/C10H12N2O2/c1-2-8-4-5-9(14-8)10(13)12-7-3-6-11/h4-5H,2-3,7H2,1H3,(H,12,13)
InChIKeyOULHUPWJTNLRGR-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.49
Rot. Bonds4

About N-(2-cyanoethyl)-5-ethylfuran-2-carboxamide

N-(2-cyanoethyl)-5-ethylfuran-2-carboxamide (PubChem CID 112726773) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is N-(2-cyanoethyl)-5-ethylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-5-ethylfuran-2-carboxamide
PubChem CID112726773
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC NameN-(2-cyanoethyl)-5-ethylfuran-2-carboxamide
SMILESCCc1ccc(C(=O)NCCC#N)o1
InChIInChI=1S/C10H12N2O2/c1-2-8-4-5-9(14-8)10(13)12-7-3-6-11/h4-5H,2-3,7H2,1H3,(H,12,13)
InChIKeyOULHUPWJTNLRGR-UHFFFAOYSA-N
XLogP1.49
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-N-(3-iodopropyl)furan-2-carboxamide
CID 114504288
N-(2-cyanoethyl)-5-ethyl-N-methylfuran-2-carboxamide
CID 112726763
N-(5-aminopentyl)-5-ethylfuran-2-carboxamide
CID 79094477
5-ethyl-N-(4-hydroxypentyl)furan-2-carboxamide
CID 107299752
N-(2-azidoethyl)-5-ethylfuran-2-carboxamide
CID 79084209
N-[4-(cyanomethyl)phenyl]-5-ethylfuran-2-carboxamide
CID 112726762
5-ethyl-N-methylfuran-2-carboxamide
CID 60751451
5-ethyl-N-[(1-hydroxycyclohexyl)methyl]furan-2-carboxamide
CID 64868940
2-cyano-3-(5-ethylfuran-2-yl)-3-oxo-N-propylpropanamide
CID 60501121
5-ethyl-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide
CID 47027033
N-(2-chloroprop-2-enyl)-5-ethylfuran-2-carboxamide
CID 115636695
N-(2-bromoprop-2-enyl)-5-ethylfuran-2-carboxamide
CID 115594455

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-5-ethylfuran-2-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-5-ethylfuran-2-carboxamide (CID 112726773) is N-(2-cyanoethyl)-5-ethylfuran-2-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-5-ethylfuran-2-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-5-ethylfuran-2-carboxamide is CCc1ccc(C(=O)NCCC#N)o1.
What is the InChIKey of N-(2-cyanoethyl)-5-ethylfuran-2-carboxamide?
The InChIKey is OULHUPWJTNLRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-2-8-4-5-9(14-8)10(13)12-7-3-6-11/h4-5H,2-3,7H2,1H3,(H,12,13).
What are the key properties of N-(2-cyanoethyl)-5-ethylfuran-2-carboxamide?
N-(2-cyanoethyl)-5-ethylfuran-2-carboxamide has a molecular weight of 192.22 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-5-ethylfuran-2-carboxamide is sourced from PubChem (CID 112726773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).