N-[(E)-(2-methyl-2H-chromen-3-yl)methylideneamino]furan-2-carboxamide

C16H14N2O3 — CID 134153593

IUPACN-[(E)-(2-methyl-2H-chromen-3-yl)methylideneamino]furan-2-carboxamide
SMILESCC1Oc2ccccc2C=C1/C=N/NC(=O)c1ccco1
InChIInChI=1S/C16H14N2O3/c1-11-13(9-12-5-2-3-6-14(12)21-11)10-17-18-16(19)15-7-4-8-20-15/h2-11H,1H3,(H,18,19)/b17-10+
InChIKeyAAEFNIICOIFHSA-LICLKQGHSA-N
MW282.30 g/mol
LogP2.86
Rot. Bonds3

About N-[(E)-(2-methyl-2H-chromen-3-yl)methylideneamino]furan-2-carboxamide

N-[(E)-(2-methyl-2H-chromen-3-yl)methylideneamino]furan-2-carboxamide (PubChem CID 134153593) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is N-[(E)-(2-methyl-2H-chromen-3-yl)methylideneamino]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-methyl-2H-chromen-3-yl)methylideneamino]furan-2-carboxamide
PubChem CID134153593
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC NameN-[(E)-(2-methyl-2H-chromen-3-yl)methylideneamino]furan-2-carboxamide
SMILESCC1Oc2ccccc2C=C1/C=N/NC(=O)c1ccco1
InChIInChI=1S/C16H14N2O3/c1-11-13(9-12-5-2-3-6-14(12)21-11)10-17-18-16(19)15-7-4-8-20-15/h2-11H,1H3,(H,18,19)/b17-10+
InChIKeyAAEFNIICOIFHSA-LICLKQGHSA-N
XLogP2.86
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.86
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-methyl-2H-chromen-3-yl)methylideneamino]furan-2-carboxamide?
The IUPAC name of N-[(E)-(2-methyl-2H-chromen-3-yl)methylideneamino]furan-2-carboxamide (CID 134153593) is N-[(E)-(2-methyl-2H-chromen-3-yl)methylideneamino]furan-2-carboxamide.
What is the SMILES notation for N-[(E)-(2-methyl-2H-chromen-3-yl)methylideneamino]furan-2-carboxamide?
The canonical SMILES for N-[(E)-(2-methyl-2H-chromen-3-yl)methylideneamino]furan-2-carboxamide is CC1Oc2ccccc2C=C1/C=N/NC(=O)c1ccco1.
What is the InChIKey of N-[(E)-(2-methyl-2H-chromen-3-yl)methylideneamino]furan-2-carboxamide?
The InChIKey is AAEFNIICOIFHSA-LICLKQGHSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-11-13(9-12-5-2-3-6-14(12)21-11)10-17-18-16(19)15-7-4-8-20-15/h2-11H,1H3,(H,18,19)/b17-10+.
What are the key properties of N-[(E)-(2-methyl-2H-chromen-3-yl)methylideneamino]furan-2-carboxamide?
N-[(E)-(2-methyl-2H-chromen-3-yl)methylideneamino]furan-2-carboxamide has a molecular weight of 282.30 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-methyl-2H-chromen-3-yl)methylideneamino]furan-2-carboxamide is sourced from PubChem (CID 134153593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).