N-[(5-methylfuran-2-yl)methylideneamino]furan-2-carboxamide

C11H10N2O3 — CID 668435

IUPACN-[(5-methylfuran-2-yl)methylideneamino]furan-2-carboxamide
SMILESCc1ccc(C=NNC(=O)c2ccco2)o1
InChIInChI=1S/C11H10N2O3/c1-8-4-5-9(16-8)7-12-13-11(14)10-3-2-6-15-10/h2-7H,1H3,(H,13,14)
InChIKeyAEAKHVLJQHZKSY-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.94
Rot. Bonds3

About N-[(5-methylfuran-2-yl)methylideneamino]furan-2-carboxamide

N-[(5-methylfuran-2-yl)methylideneamino]furan-2-carboxamide (PubChem CID 668435) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methylideneamino]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methylideneamino]furan-2-carboxamide
PubChem CID668435
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC NameN-[(5-methylfuran-2-yl)methylideneamino]furan-2-carboxamide
SMILESCc1ccc(C=NNC(=O)c2ccco2)o1
InChIInChI=1S/C11H10N2O3/c1-8-4-5-9(16-8)7-12-13-11(14)10-3-2-6-15-10/h2-7H,1H3,(H,13,14)
InChIKeyAEAKHVLJQHZKSY-UHFFFAOYSA-N
XLogP1.94
TPSA67.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

1,3-bis[(E)-(5-methylfuran-2-yl)methylideneamino]urea
CID 177430726
N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]furan-2-carboxamide
CID 29227500
N-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]furan-2-carboxamide
CID 126041118
N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]furan-2-carboxamide
CID 7406194
N-[(Z)-(4-hydroxyphenyl)methylideneamino]furan-2-carboxamide
CID 136661630
N-(pyridin-4-ylmethylideneamino)furan-2-carboxamide
CID 678532
N-(furan-2-ylmethyl)-N'-[(5-methylfuran-2-yl)methylideneamino]oxamide
CID 5237010
2-[5-[(Z)-(furan-2-carbonylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 5427044
N-[(Z)-(4-butoxyphenyl)methylideneamino]furan-2-carboxamide
CID 9175443
4-hydroxy-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 5371180
N-[(Z)-[3-[(E)-(furan-2-carbonylhydrazinylidene)methyl]-2-hydroxy-5-methylphenyl]methylideneamino]furan-2-carboxamide
CID 135816538
N-[(Z)-(1,5-dimethylpyrrol-2-yl)methylideneamino]furan-2-carboxamide
CID 50855634

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methylideneamino]furan-2-carboxamide?
The IUPAC name of N-[(5-methylfuran-2-yl)methylideneamino]furan-2-carboxamide (CID 668435) is N-[(5-methylfuran-2-yl)methylideneamino]furan-2-carboxamide.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methylideneamino]furan-2-carboxamide?
The canonical SMILES for N-[(5-methylfuran-2-yl)methylideneamino]furan-2-carboxamide is Cc1ccc(C=NNC(=O)c2ccco2)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methylideneamino]furan-2-carboxamide?
The InChIKey is AEAKHVLJQHZKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-8-4-5-9(16-8)7-12-13-11(14)10-3-2-6-15-10/h2-7H,1H3,(H,13,14).
What are the key properties of N-[(5-methylfuran-2-yl)methylideneamino]furan-2-carboxamide?
N-[(5-methylfuran-2-yl)methylideneamino]furan-2-carboxamide has a molecular weight of 218.21 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methylideneamino]furan-2-carboxamide is sourced from PubChem (CID 668435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).