N'-[(E)-3-(furan-2-yl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide

C14H14N2O4 — CID 7478941

IUPACN'-[(E)-3-(furan-2-yl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)/C=C/c2ccco2)c(C)o1
InChIInChI=1S/C14H14N2O4/c1-9-8-12(10(2)20-9)14(18)16-15-13(17)6-5-11-4-3-7-19-11/h3-8H,1-2H3,(H,15,17)(H,16,18)/b6-5+
InChIKeyDGRXMBJULXKUIL-AATRIKPKSA-N
MW274.28 g/mol
LogP1.96
Rot. Bonds3

About N'-[(E)-3-(furan-2-yl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide

N'-[(E)-3-(furan-2-yl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide (PubChem CID 7478941) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is N'-[(E)-3-(furan-2-yl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide.

Molecular Properties

Compound NameN'-[(E)-3-(furan-2-yl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide
PubChem CID7478941
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC NameN'-[(E)-3-(furan-2-yl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)/C=C/c2ccco2)c(C)o1
InChIInChI=1S/C14H14N2O4/c1-9-8-12(10(2)20-9)14(18)16-15-13(17)6-5-11-4-3-7-19-11/h3-8H,1-2H3,(H,15,17)(H,16,18)/b6-5+
InChIKeyDGRXMBJULXKUIL-AATRIKPKSA-N
XLogP1.96
TPSA84.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_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)-3-(furan-2-yl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide?
The IUPAC name of N'-[(E)-3-(furan-2-yl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide (CID 7478941) is N'-[(E)-3-(furan-2-yl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide.
What is the SMILES notation for N'-[(E)-3-(furan-2-yl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide?
The canonical SMILES for N'-[(E)-3-(furan-2-yl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide is Cc1cc(C(=O)NNC(=O)/C=C/c2ccco2)c(C)o1.
What is the InChIKey of N'-[(E)-3-(furan-2-yl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide?
The InChIKey is DGRXMBJULXKUIL-AATRIKPKSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-9-8-12(10(2)20-9)14(18)16-15-13(17)6-5-11-4-3-7-19-11/h3-8H,1-2H3,(H,15,17)(H,16,18)/b6-5+.
What are the key properties of N'-[(E)-3-(furan-2-yl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide?
N'-[(E)-3-(furan-2-yl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide has a molecular weight of 274.28 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-3-(furan-2-yl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide is sourced from PubChem (CID 7478941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).