N-[(E)-cyclopenta-1,3-dien-1-ylmethylideneamino]furan-2-carboxamide

C11H10N2O2 — CID 177440990

IUPACN-[(E)-cyclopenta-1,3-dien-1-ylmethylideneamino]furan-2-carboxamide
SMILESO=C(N/N=C/C1=CC=CC1)c1ccco1
InChIInChI=1S/C11H10N2O2/c14-11(10-6-3-7-15-10)13-12-8-9-4-1-2-5-9/h1-4,6-8H,5H2,(H,13,14)/b12-8+
InChIKeyVUVGYVNZVMMVLG-XYOKQWHBSA-N
MW202.21 g/mol
LogP1.88
Rot. Bonds3

About N-[(E)-cyclopenta-1,3-dien-1-ylmethylideneamino]furan-2-carboxamide

N-[(E)-cyclopenta-1,3-dien-1-ylmethylideneamino]furan-2-carboxamide (PubChem CID 177440990) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is N-[(E)-cyclopenta-1,3-dien-1-ylmethylideneamino]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-cyclopenta-1,3-dien-1-ylmethylideneamino]furan-2-carboxamide
PubChem CID177440990
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC NameN-[(E)-cyclopenta-1,3-dien-1-ylmethylideneamino]furan-2-carboxamide
SMILESO=C(N/N=C/C1=CC=CC1)c1ccco1
InChIInChI=1S/C11H10N2O2/c14-11(10-6-3-7-15-10)13-12-8-9-4-1-2-5-9/h1-4,6-8H,5H2,(H,13,14)/b12-8+
InChIKeyVUVGYVNZVMMVLG-XYOKQWHBSA-N
XLogP1.88
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.88
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-[(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-[(5-methylfuran-2-yl)methylideneamino]furan-2-carboxamide
CID 668435
N-[(Z)-(1,5-dimethylpyrrol-2-yl)methylideneamino]furan-2-carboxamide
CID 50855634
N-[(Z)-[3-[(E)-(furan-2-carbonylhydrazinylidene)methyl]-2-hydroxy-5-methylphenyl]methylideneamino]furan-2-carboxamide
CID 135816538
N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]furan-2-carboxamide
CID 7231244
N-[(E)-(4-hexoxyphenyl)methylideneamino]furan-2-carboxamide
CID 18273469
N-[(E)-(2-ethoxy-4-hydroxyphenyl)methylideneamino]furan-2-carboxamide
CID 139230740
N-[(E)-(3-hydroxyphenyl)methylideneamino]furan-2-carboxamide
CID 6885887
N-[(Z)-(4-butoxyphenyl)methylideneamino]furan-2-carboxamide
CID 9175443
N-[(E)-cyclopenta-1,3-dien-1-ylmethylideneamino]-3,4,5-tris[[3,4,5-tris(phenylmethoxy)phenyl]methoxy]benzamide
CID 177456337

Frequently Asked Questions

What is the IUPAC name of N-[(E)-cyclopenta-1,3-dien-1-ylmethylideneamino]furan-2-carboxamide?
The IUPAC name of N-[(E)-cyclopenta-1,3-dien-1-ylmethylideneamino]furan-2-carboxamide (CID 177440990) is N-[(E)-cyclopenta-1,3-dien-1-ylmethylideneamino]furan-2-carboxamide.
What is the SMILES notation for N-[(E)-cyclopenta-1,3-dien-1-ylmethylideneamino]furan-2-carboxamide?
The canonical SMILES for N-[(E)-cyclopenta-1,3-dien-1-ylmethylideneamino]furan-2-carboxamide is O=C(N/N=C/C1=CC=CC1)c1ccco1.
What is the InChIKey of N-[(E)-cyclopenta-1,3-dien-1-ylmethylideneamino]furan-2-carboxamide?
The InChIKey is VUVGYVNZVMMVLG-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H10N2O2/c14-11(10-6-3-7-15-10)13-12-8-9-4-1-2-5-9/h1-4,6-8H,5H2,(H,13,14)/b12-8+.
What are the key properties of N-[(E)-cyclopenta-1,3-dien-1-ylmethylideneamino]furan-2-carboxamide?
N-[(E)-cyclopenta-1,3-dien-1-ylmethylideneamino]furan-2-carboxamide has a molecular weight of 202.21 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-cyclopenta-1,3-dien-1-ylmethylideneamino]furan-2-carboxamide is sourced from PubChem (CID 177440990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).