(Z)-3-(furan-2-yl)-2-nitroprop-2-enal;methane

C8H9NO4 — CID 143162705

IUPAC(Z)-3-(furan-2-yl)-2-nitroprop-2-enal;methane
SMILESC.O=C/C(=C/c1ccco1)[N+](=O)[O-]
InChIInChI=1S/C7H5NO4.CH4/c9-5-6(8(10)11)4-7-2-1-3-12-7;/h1-5H;1H4/b6-4-;
InChIKeyDFZQBCGKAPMVPI-YHSAGPEESA-N
MW183.16 g/mol
LogP1.73
Rot. Bonds3

About (Z)-3-(furan-2-yl)-2-nitroprop-2-enal;methane

(Z)-3-(furan-2-yl)-2-nitroprop-2-enal;methane (PubChem CID 143162705) has the molecular formula C8H9NO4 and a molecular weight of 183.16 g/mol. Its IUPAC name is (Z)-3-(furan-2-yl)-2-nitroprop-2-enal;methane.

Molecular Properties

Compound Name(Z)-3-(furan-2-yl)-2-nitroprop-2-enal;methane
PubChem CID143162705
Molecular FormulaC8H9NO4
Molecular Weight183.16 g/mol
Exact Mass183.05
IUPAC Name(Z)-3-(furan-2-yl)-2-nitroprop-2-enal;methane
SMILESC.O=C/C(=C/c1ccco1)[N+](=O)[O-]
InChIInChI=1S/C7H5NO4.CH4/c9-5-6(8(10)11)4-7-2-1-3-12-7;/h1-5H;1H4/b6-4-;
InChIKeyDFZQBCGKAPMVPI-YHSAGPEESA-N
XLogP1.73
TPSA73.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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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Related Compounds

2-(2-Nitrovinyl)furan
CID 687331
2-[(1Z)-2-nitroprop-1-en-1-yl]furan
CID 6434142
2-(2-Nitroprop-1-en-1-yl)furan
CID 6138838
2-(2-Nitro-1-propen-1-yl)furan
CID 36409
2-(2-Bromo-2-nitroethenyl)furan
CID 14993941
Furan, 2-[(1E)-2-nitroethenyl]-
CID 12781
2-Bromo-5-(2-nitroprop-1-en-1-yl)furan
CID 16065099
alpha-Nitro-5-bromo-2-furanacrylic acid, methyl ester
CID 93382
2-Methyl-5-(2-nitrovinyl)furan
CID 538006
2-Methyl-5-(2-nitroethenyl)furan
CID 5363484
3-Buten-2-one, 4-(2-furanyl)-3-nitro-
CID 5047304
2-[(E)-1-nitroprop-1-en-2-yl]furan
CID 11400876

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(furan-2-yl)-2-nitroprop-2-enal;methane?
The IUPAC name of (Z)-3-(furan-2-yl)-2-nitroprop-2-enal;methane (CID 143162705) is (Z)-3-(furan-2-yl)-2-nitroprop-2-enal;methane.
What is the SMILES notation for (Z)-3-(furan-2-yl)-2-nitroprop-2-enal;methane?
The canonical SMILES for (Z)-3-(furan-2-yl)-2-nitroprop-2-enal;methane is C.O=C/C(=C/c1ccco1)[N+](=O)[O-].
What is the InChIKey of (Z)-3-(furan-2-yl)-2-nitroprop-2-enal;methane?
The InChIKey is DFZQBCGKAPMVPI-YHSAGPEESA-N. The full InChI is InChI=1S/C7H5NO4.CH4/c9-5-6(8(10)11)4-7-2-1-3-12-7;/h1-5H;1H4/b6-4-;.
What are the key properties of (Z)-3-(furan-2-yl)-2-nitroprop-2-enal;methane?
(Z)-3-(furan-2-yl)-2-nitroprop-2-enal;methane has a molecular weight of 183.16 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(furan-2-yl)-2-nitroprop-2-enal;methane is sourced from PubChem (CID 143162705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).