N-(cyanomethyl)-3-methylfuran-2-carboxamide

C8H8N2O2 — CID 60893946

IUPACN-(cyanomethyl)-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)NCC#N
InChIInChI=1S/C8H8N2O2/c1-6-2-5-12-7(6)8(11)10-4-3-9/h2,5H,4H2,1H3,(H,10,11)
InChIKeyMSAQHOOJTOEJMC-UHFFFAOYSA-N
MW164.16 g/mol
LogP0.84
Rot. Bonds2

About N-(cyanomethyl)-3-methylfuran-2-carboxamide

N-(cyanomethyl)-3-methylfuran-2-carboxamide (PubChem CID 60893946) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is N-(cyanomethyl)-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-3-methylfuran-2-carboxamide
PubChem CID60893946
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC NameN-(cyanomethyl)-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)NCC#N
InChIInChI=1S/C8H8N2O2/c1-6-2-5-12-7(6)8(11)10-4-3-9/h2,5H,4H2,1H3,(H,10,11)
InChIKeyMSAQHOOJTOEJMC-UHFFFAOYSA-N
XLogP0.84
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromobutyl)-3-methylfuran-2-carboxamide
CID 106845761
3-methyl-N-[2-methyl-3-(methylamino)propyl]furan-2-carboxamide
CID 81479014
N-(2-aminobutyl)-3-methylfuran-2-carboxamide
CID 63732617
3-methyl-N-[2-(propylamino)ethyl]furan-2-carboxamide
CID 62659000
N-(4-aminobutyl)-3-methylfuran-2-carboxamide
CID 60895762
N-(1-cyanoethyl)-3-methylfuran-2-carboxamide
CID 61121242
3-methoxy-4-[(3-methylfuran-2-carbonyl)amino]butanoic acid
CID 103152988
N-(2,2-difluoro-3-hydroxypropyl)-3-methylfuran-2-carboxamide
CID 104858004
2-[(3-methylfuran-2-carbonyl)amino]ethyl carbamate
CID 75483650
N-[2-(2-hydroxypropylamino)ethyl]-3-methylfuran-2-carboxamide
CID 104593838
N-(3-bromo-4-methoxybutyl)-3-methylfuran-2-carboxamide
CID 106244866
N-(2-hydroxy-2-phenylpropyl)-3-methylfuran-2-carboxamide
CID 111335077

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-3-methylfuran-2-carboxamide?
The IUPAC name of N-(cyanomethyl)-3-methylfuran-2-carboxamide (CID 60893946) is N-(cyanomethyl)-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-(cyanomethyl)-3-methylfuran-2-carboxamide?
The canonical SMILES for N-(cyanomethyl)-3-methylfuran-2-carboxamide is Cc1ccoc1C(=O)NCC#N.
What is the InChIKey of N-(cyanomethyl)-3-methylfuran-2-carboxamide?
The InChIKey is MSAQHOOJTOEJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2/c1-6-2-5-12-7(6)8(11)10-4-3-9/h2,5H,4H2,1H3,(H,10,11).
What are the key properties of N-(cyanomethyl)-3-methylfuran-2-carboxamide?
N-(cyanomethyl)-3-methylfuran-2-carboxamide has a molecular weight of 164.16 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-3-methylfuran-2-carboxamide is sourced from PubChem (CID 60893946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).