N-(methylideneamino)furan-3-carboxamide

C6H6N2O2 — CID 130444128

IUPACN-(methylideneamino)furan-3-carboxamide
SMILESC=NNC(=O)c1ccoc1
InChIInChI=1S/C6H6N2O2/c1-7-8-6(9)5-2-3-10-4-5/h2-4H,1H2,(H,8,9)
InChIKeyXKKZBYLLNBLCLT-UHFFFAOYSA-N
MW138.13 g/mol
LogP0.62
Rot. Bonds2

About N-(methylideneamino)furan-3-carboxamide

N-(methylideneamino)furan-3-carboxamide (PubChem CID 130444128) has the molecular formula C6H6N2O2 and a molecular weight of 138.13 g/mol. Its IUPAC name is N-(methylideneamino)furan-3-carboxamide.

Molecular Properties

Compound NameN-(methylideneamino)furan-3-carboxamide
PubChem CID130444128
Molecular FormulaC6H6N2O2
Molecular Weight138.13 g/mol
Exact Mass138.04
IUPAC NameN-(methylideneamino)furan-3-carboxamide
SMILESC=NNC(=O)c1ccoc1
InChIInChI=1S/C6H6N2O2/c1-7-8-6(9)5-2-3-10-4-5/h2-4H,1H2,(H,8,9)
InChIKeyXKKZBYLLNBLCLT-UHFFFAOYSA-N
XLogP0.62
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.13
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-chlorofuran-3-carboxamide
CID 144607311
N-carbamoylfuran-3-carboxamide
CID 54444166
N-methoxyfuran-3-carboxamide
CID 60701103
2-(furan-3-carbonylamino)-2-methylpropanoic acid
CID 61262985
N-cyclopropylfuran-3-carboxamide
CID 60698418
furan-3-carboxylic acid;dihydrochloride
CID 141114987
N-(3-oxobutan-2-yl)furan-3-carboxamide
CID 64997031
N-(2-methoxyphenyl)furan-3-carboxamide
CID 17437625
[(E)-1-(furan-3-yl)ethylideneamino]urea
CID 122235604
azanium furan-3-carboxylate
CID 176901239
1-(furan-3-yl)-3-methylbut-3-en-1-one
CID 79178014
tert-butyl N-(furan-3-carbonyl)carbamate
CID 176560288

Frequently Asked Questions

What is the IUPAC name of N-(methylideneamino)furan-3-carboxamide?
The IUPAC name of N-(methylideneamino)furan-3-carboxamide (CID 130444128) is N-(methylideneamino)furan-3-carboxamide.
What is the SMILES notation for N-(methylideneamino)furan-3-carboxamide?
The canonical SMILES for N-(methylideneamino)furan-3-carboxamide is C=NNC(=O)c1ccoc1.
What is the InChIKey of N-(methylideneamino)furan-3-carboxamide?
The InChIKey is XKKZBYLLNBLCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O2/c1-7-8-6(9)5-2-3-10-4-5/h2-4H,1H2,(H,8,9).
What are the key properties of N-(methylideneamino)furan-3-carboxamide?
N-(methylideneamino)furan-3-carboxamide has a molecular weight of 138.13 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylideneamino)furan-3-carboxamide is sourced from PubChem (CID 130444128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).