(2E)-6-methyl-2-[(2-nitrophenyl)methylidene]furo[3,2-c]pyran-3,4-dione

C15H9NO6 — CID 177418726

IUPAC(2E)-6-methyl-2-[(2-nitrophenyl)methylidene]furo[3,2-c]pyran-3,4-dione
SMILESCc1cc2c(c(=O)o1)C(=O)/C(=C\c1ccccc1[N+](=O)[O-])O2
InChIInChI=1S/C15H9NO6/c1-8-6-11-13(15(18)21-8)14(17)12(22-11)7-9-4-2-3-5-10(9)16(19)20/h2-7H,1H3/b12-7+
InChIKeyUYSAHVFJUQEFCF-KPKJPENVSA-N
MW299.24 g/mol
LogP2.47
Rot. Bonds2

About (2E)-6-methyl-2-[(2-nitrophenyl)methylidene]furo[3,2-c]pyran-3,4-dione

(2E)-6-methyl-2-[(2-nitrophenyl)methylidene]furo[3,2-c]pyran-3,4-dione (PubChem CID 177418726) has the molecular formula C15H9NO6 and a molecular weight of 299.24 g/mol. Its IUPAC name is (2E)-6-methyl-2-[(2-nitrophenyl)methylidene]furo[3,2-c]pyran-3,4-dione.

Molecular Properties

Compound Name(2E)-6-methyl-2-[(2-nitrophenyl)methylidene]furo[3,2-c]pyran-3,4-dione
PubChem CID177418726
Molecular FormulaC15H9NO6
Molecular Weight299.24 g/mol
Exact Mass299.04
IUPAC Name(2E)-6-methyl-2-[(2-nitrophenyl)methylidene]furo[3,2-c]pyran-3,4-dione
SMILESCc1cc2c(c(=O)o1)C(=O)/C(=C\c1ccccc1[N+](=O)[O-])O2
InChIInChI=1S/C15H9NO6/c1-8-6-11-13(15(18)21-8)14(17)12(22-11)7-9-4-2-3-5-10(9)16(19)20/h2-7H,1H3/b12-7+
InChIKeyUYSAHVFJUQEFCF-KPKJPENVSA-N
XLogP2.47
TPSA99.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.24
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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 (2E)-6-methyl-2-[(2-nitrophenyl)methylidene]furo[3,2-c]pyran-3,4-dione?
The IUPAC name of (2E)-6-methyl-2-[(2-nitrophenyl)methylidene]furo[3,2-c]pyran-3,4-dione (CID 177418726) is (2E)-6-methyl-2-[(2-nitrophenyl)methylidene]furo[3,2-c]pyran-3,4-dione.
What is the SMILES notation for (2E)-6-methyl-2-[(2-nitrophenyl)methylidene]furo[3,2-c]pyran-3,4-dione?
The canonical SMILES for (2E)-6-methyl-2-[(2-nitrophenyl)methylidene]furo[3,2-c]pyran-3,4-dione is Cc1cc2c(c(=O)o1)C(=O)/C(=C\c1ccccc1[N+](=O)[O-])O2.
What is the InChIKey of (2E)-6-methyl-2-[(2-nitrophenyl)methylidene]furo[3,2-c]pyran-3,4-dione?
The InChIKey is UYSAHVFJUQEFCF-KPKJPENVSA-N. The full InChI is InChI=1S/C15H9NO6/c1-8-6-11-13(15(18)21-8)14(17)12(22-11)7-9-4-2-3-5-10(9)16(19)20/h2-7H,1H3/b12-7+.
What are the key properties of (2E)-6-methyl-2-[(2-nitrophenyl)methylidene]furo[3,2-c]pyran-3,4-dione?
(2E)-6-methyl-2-[(2-nitrophenyl)methylidene]furo[3,2-c]pyran-3,4-dione has a molecular weight of 299.24 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-6-methyl-2-[(2-nitrophenyl)methylidene]furo[3,2-c]pyran-3,4-dione is sourced from PubChem (CID 177418726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).