(Z)-2-methyl-3-(5-nitrofuran-2-yl)prop-2-enoate

C8H6NO5- — CID 6934520

IUPAC(Z)-2-methyl-3-(5-nitrofuran-2-yl)prop-2-enoate
SMILESC/C(=C/c1ccc([N+](=O)[O-])o1)C(=O)[O-]
InChIInChI=1S/C8H7NO5/c1-5(8(10)11)4-6-2-3-7(14-6)9(12)13/h2-4H,1H3,(H,10,11)/p-1/b5-4-
InChIKeyDAUWDSUMQISFQD-PLNGDYQASA-M
MW196.14 g/mol
LogP0.34
Rot. Bonds3

About (Z)-2-methyl-3-(5-nitrofuran-2-yl)prop-2-enoate

(Z)-2-methyl-3-(5-nitrofuran-2-yl)prop-2-enoate (PubChem CID 6934520) has the molecular formula C8H6NO5- and a molecular weight of 196.14 g/mol. Its IUPAC name is (Z)-2-methyl-3-(5-nitrofuran-2-yl)prop-2-enoate.

Molecular Properties

Compound Name(Z)-2-methyl-3-(5-nitrofuran-2-yl)prop-2-enoate
PubChem CID6934520
Molecular FormulaC8H6NO5-
Molecular Weight196.14 g/mol
Exact Mass196.03
IUPAC Name(Z)-2-methyl-3-(5-nitrofuran-2-yl)prop-2-enoate
SMILESC/C(=C/c1ccc([N+](=O)[O-])o1)C(=O)[O-]
InChIInChI=1S/C8H7NO5/c1-5(8(10)11)4-6-2-3-7(14-6)9(12)13/h2-4H,1H3,(H,10,11)/p-1/b5-4-
InChIKeyDAUWDSUMQISFQD-PLNGDYQASA-M
XLogP0.34
TPSA96.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.14
LogP ≤ 50.34
H-Bond Donors ≤ 50
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

4-[(E)-1-(5-nitrofuran-2-yl)prop-1-en-2-yl]pyridine
CID 121015224
3-(5-nitrofuran-2-yl)prop-2-enoate
CID 3423261
2-[(5-nitrofuran-2-yl)methylidene]butan-1-amine
CID 79323180
2-[(Z)-2-bromoethenyl]-5-nitrofuran
CID 6081936
(E)-N-ethyl-3-methyl-4-(5-nitrofuran-2-yl)but-3-en-2-amine
CID 103093496
methyl (E)-3-(5-nitrofuran-2-yl)-2-phenylprop-2-enoate
CID 20519566
azane;5-nitrofuran-2-carbaldehyde
CID 174516774
N-[2-methyl-3-(5-nitrofuran-2-yl)prop-2-enyl]cyclopropanamine
CID 79340423
2-(2-carbamoylhydrazinyl)-3-(5-nitrofuran-2-yl)prop-2-enoic acid
CID 20981860
N-methyl-2-[(5-nitrofuran-2-yl)methylidene]butan-1-amine
CID 79329289
2-methyl-5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]furan
CID 91873040
(Z)-2-(dipropylamino)-3-(5-nitrofuran-2-yl)prop-2-enehydrazide
CID 6434137

Frequently Asked Questions

What is the IUPAC name of (Z)-2-methyl-3-(5-nitrofuran-2-yl)prop-2-enoate?
The IUPAC name of (Z)-2-methyl-3-(5-nitrofuran-2-yl)prop-2-enoate (CID 6934520) is (Z)-2-methyl-3-(5-nitrofuran-2-yl)prop-2-enoate.
What is the SMILES notation for (Z)-2-methyl-3-(5-nitrofuran-2-yl)prop-2-enoate?
The canonical SMILES for (Z)-2-methyl-3-(5-nitrofuran-2-yl)prop-2-enoate is C/C(=C/c1ccc([N+](=O)[O-])o1)C(=O)[O-].
What is the InChIKey of (Z)-2-methyl-3-(5-nitrofuran-2-yl)prop-2-enoate?
The InChIKey is DAUWDSUMQISFQD-PLNGDYQASA-M. The full InChI is InChI=1S/C8H7NO5/c1-5(8(10)11)4-6-2-3-7(14-6)9(12)13/h2-4H,1H3,(H,10,11)/p-1/b5-4-.
What are the key properties of (Z)-2-methyl-3-(5-nitrofuran-2-yl)prop-2-enoate?
(Z)-2-methyl-3-(5-nitrofuran-2-yl)prop-2-enoate has a molecular weight of 196.14 g/mol, XLogP of 0.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methyl-3-(5-nitrofuran-2-yl)prop-2-enoate is sourced from PubChem (CID 6934520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).