(E)-3-[5-(2-methoxy-5-nitrophenyl)furan-2-yl]prop-2-enamide

C14H12N2O5 — CID 91675678

IUPAC(E)-3-[5-(2-methoxy-5-nitrophenyl)furan-2-yl]prop-2-enamide
SMILESCOc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C/C(N)=O)o1
InChIInChI=1S/C14H12N2O5/c1-20-12-5-2-9(16(18)19)8-11(12)13-6-3-10(21-13)4-7-14(15)17/h2-8H,1H3,(H2,15,17)/b7-4+
InChIKeyTVFPCAVYQCGNTP-QPJJXVBHSA-N
MW288.26 g/mol
LogP2.36
Rot. Bonds5

About (E)-3-[5-(2-methoxy-5-nitrophenyl)furan-2-yl]prop-2-enamide

(E)-3-[5-(2-methoxy-5-nitrophenyl)furan-2-yl]prop-2-enamide (PubChem CID 91675678) has the molecular formula C14H12N2O5 and a molecular weight of 288.26 g/mol. Its IUPAC name is (E)-3-[5-(2-methoxy-5-nitrophenyl)furan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[5-(2-methoxy-5-nitrophenyl)furan-2-yl]prop-2-enamide
PubChem CID91675678
Molecular FormulaC14H12N2O5
Molecular Weight288.26 g/mol
Exact Mass288.07
IUPAC Name(E)-3-[5-(2-methoxy-5-nitrophenyl)furan-2-yl]prop-2-enamide
SMILESCOc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C/C(N)=O)o1
InChIInChI=1S/C14H12N2O5/c1-20-12-5-2-9(16(18)19)8-11(12)13-6-3-10(21-13)4-7-14(15)17/h2-8H,1H3,(H2,15,17)/b7-4+
InChIKeyTVFPCAVYQCGNTP-QPJJXVBHSA-N
XLogP2.36
TPSA108.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Related Compounds

(Z)-2-cyano-3-[5-(2-methoxy-5-nitrophenyl)furan-2-yl]prop-2-enamide
CID 874049
ethyl (E)-2-cyano-3-[5-(2-methoxy-5-nitrophenyl)furan-2-yl]prop-2-enoate
CID 874008
(E)-4-[5-(2-methyl-5-nitrophenyl)furan-2-yl]but-3-en-2-one
CID 50884965
1-(3,4-dimethoxyphenyl)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-en-1-one
CID 2914905
2-(4-fluorophenyl)-N-[(E)-[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 126227166
N-[(5E)-5-[[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide
CID 6115145
3-[5-(4-chlorophenyl)furan-2-yl]-N-(2-methoxy-5-nitrophenyl)prop-2-enamide
CID 3530863
(E)-3-[5-(5-chloro-2-methoxyphenyl)furan-2-yl]prop-2-enoic acid
CID 91679270
(2Z)-2-[[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylidene]-1-benzothiophen-3-one
CID 1001262
(E)-N-carbamothioyl-3-[5-(2-methyl-4-nitrophenyl)furan-2-yl]prop-2-enamide
CID 132591132
ethyl (E)-3-[5-(4-methoxy-3-nitrophenyl)furan-2-yl]prop-2-enoate
CID 91675688
(E)-3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]prop-2-enoate
CID 7174466

Frequently Asked Questions

What is the IUPAC name of (E)-3-[5-(2-methoxy-5-nitrophenyl)furan-2-yl]prop-2-enamide?
The IUPAC name of (E)-3-[5-(2-methoxy-5-nitrophenyl)furan-2-yl]prop-2-enamide (CID 91675678) is (E)-3-[5-(2-methoxy-5-nitrophenyl)furan-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-[5-(2-methoxy-5-nitrophenyl)furan-2-yl]prop-2-enamide?
The canonical SMILES for (E)-3-[5-(2-methoxy-5-nitrophenyl)furan-2-yl]prop-2-enamide is COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C/C(N)=O)o1.
What is the InChIKey of (E)-3-[5-(2-methoxy-5-nitrophenyl)furan-2-yl]prop-2-enamide?
The InChIKey is TVFPCAVYQCGNTP-QPJJXVBHSA-N. The full InChI is InChI=1S/C14H12N2O5/c1-20-12-5-2-9(16(18)19)8-11(12)13-6-3-10(21-13)4-7-14(15)17/h2-8H,1H3,(H2,15,17)/b7-4+.
What are the key properties of (E)-3-[5-(2-methoxy-5-nitrophenyl)furan-2-yl]prop-2-enamide?
(E)-3-[5-(2-methoxy-5-nitrophenyl)furan-2-yl]prop-2-enamide has a molecular weight of 288.26 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[5-(2-methoxy-5-nitrophenyl)furan-2-yl]prop-2-enamide is sourced from PubChem (CID 91675678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).