2-(4-methyl-2-nitrophenyl)-5-[(E)-2-nitroethenyl]furan

C13H10N2O5 — CID 124662764

IUPAC2-(4-methyl-2-nitrophenyl)-5-[(E)-2-nitroethenyl]furan
SMILESCc1ccc(-c2ccc(/C=C/[N+](=O)[O-])o2)c([N+](=O)[O-])c1
InChIInChI=1S/C13H10N2O5/c1-9-2-4-11(12(8-9)15(18)19)13-5-3-10(20-13)6-7-14(16)17/h2-8H,1H3/b7-6+
InChIKeyAIJMDSCTYYNMPN-VOTSOKGWSA-N
MW274.23 g/mol
LogP3.41
Rot. Bonds4

About 2-(4-methyl-2-nitrophenyl)-5-[(E)-2-nitroethenyl]furan

2-(4-methyl-2-nitrophenyl)-5-[(E)-2-nitroethenyl]furan (PubChem CID 124662764) has the molecular formula C13H10N2O5 and a molecular weight of 274.23 g/mol. Its IUPAC name is 2-(4-methyl-2-nitrophenyl)-5-[(E)-2-nitroethenyl]furan.

Molecular Properties

Compound Name2-(4-methyl-2-nitrophenyl)-5-[(E)-2-nitroethenyl]furan
PubChem CID124662764
Molecular FormulaC13H10N2O5
Molecular Weight274.23 g/mol
Exact Mass274.06
IUPAC Name2-(4-methyl-2-nitrophenyl)-5-[(E)-2-nitroethenyl]furan
SMILESCc1ccc(-c2ccc(/C=C/[N+](=O)[O-])o2)c([N+](=O)[O-])c1
InChIInChI=1S/C13H10N2O5/c1-9-2-4-11(12(8-9)15(18)19)13-5-3-10(20-13)6-7-14(16)17/h2-8H,1H3/b7-6+
InChIKeyAIJMDSCTYYNMPN-VOTSOKGWSA-N
XLogP3.41
TPSA99.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-bromo-4-methylphenyl)-5-(2-nitroethenyl)furan
CID 898866
2-(4-methoxy-2-nitrophenyl)-5-[(E)-2-nitroethenyl]furan
CID 40567403
(E)-1-[5-(4-methyl-2-nitrophenyl)furan-2-yl]-N-[(E)-[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylideneamino]methanimine
CID 50884135
(NZ)-N-[[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylidene]hydroxylamine
CID 28875195
1,3-dimethyl-5-[[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylidene]-1,3-diazinane-2,4,6-trione
CID 21208962
3-[5-(4-methyl-2-nitrophenyl)furan-2-yl]-1-naphthalen-1-ylprop-2-en-1-one
CID 4736068
(2E,6E)-4-methyl-2,6-bis[[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylidene]cyclohexan-1-one
CID 6199167
5-(4-methyl-2-nitrophenyl)furan-2-carbonitrile
CID 947560
(3Z)-2-amino-4-[5-(4-methyl-2-nitrophenyl)furan-2-yl]buta-1,3-diene-1,1,3-tricarbonitrile
CID 6157377
N-[(E)-[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylideneamino]pyridin-4-amine
CID 21229319
3-methyl-4-[[(E)-3-[5-(4-methyl-2-nitrophenyl)furan-2-yl]prop-2-enoyl]amino]benzoic acid
CID 28686408
2-hydroxy-4-[[(E)-3-[5-(4-methyl-2-nitrophenyl)furan-2-yl]prop-2-enoyl]amino]benzoic acid
CID 28686416

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-nitrophenyl)-5-[(E)-2-nitroethenyl]furan?
The IUPAC name of 2-(4-methyl-2-nitrophenyl)-5-[(E)-2-nitroethenyl]furan (CID 124662764) is 2-(4-methyl-2-nitrophenyl)-5-[(E)-2-nitroethenyl]furan.
What is the SMILES notation for 2-(4-methyl-2-nitrophenyl)-5-[(E)-2-nitroethenyl]furan?
The canonical SMILES for 2-(4-methyl-2-nitrophenyl)-5-[(E)-2-nitroethenyl]furan is Cc1ccc(-c2ccc(/C=C/[N+](=O)[O-])o2)c([N+](=O)[O-])c1.
What is the InChIKey of 2-(4-methyl-2-nitrophenyl)-5-[(E)-2-nitroethenyl]furan?
The InChIKey is AIJMDSCTYYNMPN-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H10N2O5/c1-9-2-4-11(12(8-9)15(18)19)13-5-3-10(20-13)6-7-14(16)17/h2-8H,1H3/b7-6+.
What are the key properties of 2-(4-methyl-2-nitrophenyl)-5-[(E)-2-nitroethenyl]furan?
2-(4-methyl-2-nitrophenyl)-5-[(E)-2-nitroethenyl]furan has a molecular weight of 274.23 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-nitrophenyl)-5-[(E)-2-nitroethenyl]furan is sourced from PubChem (CID 124662764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).