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

C7H5NO4 — CID 59665521

IUPAC(Z)-3-(furan-2-yl)-2-nitroprop-2-enal
SMILESO=C/C(=C/c1ccco1)[N+](=O)[O-]
InChIInChI=1S/C7H5NO4/c9-5-6(8(10)11)4-7-2-1-3-12-7/h1-5H/b6-4-
InChIKeyVALXWELVPDCSSA-XQRVVYSFSA-N
MW167.12 g/mol
LogP1.10
Rot. Bonds3

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

(Z)-3-(furan-2-yl)-2-nitroprop-2-enal (PubChem CID 59665521) has the molecular formula C7H5NO4 and a molecular weight of 167.12 g/mol. Its IUPAC name is (Z)-3-(furan-2-yl)-2-nitroprop-2-enal.

Molecular Properties

Compound Name(Z)-3-(furan-2-yl)-2-nitroprop-2-enal
PubChem CID59665521
Molecular FormulaC7H5NO4
Molecular Weight167.12 g/mol
Exact Mass167.02
IUPAC Name(Z)-3-(furan-2-yl)-2-nitroprop-2-enal
SMILESO=C/C(=C/c1ccco1)[N+](=O)[O-]
InChIInChI=1S/C7H5NO4/c9-5-6(8(10)11)4-7-2-1-3-12-7/h1-5H/b6-4-
InChIKeyVALXWELVPDCSSA-XQRVVYSFSA-N
XLogP1.10
TPSA73.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.12
LogP ≤ 51.10
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

furan-2-carbaldehyde;nitromethane
CID 23020378
(Z)-2-bromo-3-(furan-2-yl)prop-2-enal
CID 14939228
methyl (E)-3-(furan-2-yl)-2-nitroprop-2-enoate
CID 10512117
(2E)-2-(furan-2-ylmethylidene)-3-methylbutanal
CID 82111259
(2E)-2-(furan-2-ylmethylidene)butanal
CID 6435826
(Z)-3-(furan-2-yl)-2-methoxyprop-2-enal
CID 102492012
2-(furan-2-ylmethylidene)-4-nitrobutanoic acid
CID 175921015
3-[(Z)-2-(furan-2-yl)-1-nitroethenyl]-3-hydroxyindene-1,2-dione
CID 102175566
3-[(E)-2-(furan-2-yl)-1-nitroethenyl]-3-hydroxyindene-1,2-dione
CID 102175571
furan-2-carbaldehyde
CID 76972982
(E)-3-(furan-2-yl)-2-(4-nitrophenyl)prop-2-enenitrile
CID 695689
furan-2-carbaldehyde;nickel
CID 174724529

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(furan-2-yl)-2-nitroprop-2-enal?
The IUPAC name of (Z)-3-(furan-2-yl)-2-nitroprop-2-enal (CID 59665521) is (Z)-3-(furan-2-yl)-2-nitroprop-2-enal.
What is the SMILES notation for (Z)-3-(furan-2-yl)-2-nitroprop-2-enal?
The canonical SMILES for (Z)-3-(furan-2-yl)-2-nitroprop-2-enal is O=C/C(=C/c1ccco1)[N+](=O)[O-].
What is the InChIKey of (Z)-3-(furan-2-yl)-2-nitroprop-2-enal?
The InChIKey is VALXWELVPDCSSA-XQRVVYSFSA-N. The full InChI is InChI=1S/C7H5NO4/c9-5-6(8(10)11)4-7-2-1-3-12-7/h1-5H/b6-4-.
What are the key properties of (Z)-3-(furan-2-yl)-2-nitroprop-2-enal?
(Z)-3-(furan-2-yl)-2-nitroprop-2-enal has a molecular weight of 167.12 g/mol, XLogP of 1.10, 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 is sourced from PubChem (CID 59665521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).