(E)-3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]prop-2-enoate

C13H7ClNO5- — CID 7174466

IUPAC(E)-3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]prop-2-enoate
SMILESO=C([O-])/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1
InChIInChI=1S/C13H8ClNO5/c14-11-7-8(15(18)19)1-4-10(11)12-5-2-9(20-12)3-6-13(16)17/h1-7H,(H,16,17)/p-1/b6-3+
InChIKeyHJYSVJANLULBOJ-ZZXKWVIFSA-M
MW292.65 g/mol
LogP2.27
Rot. Bonds4

About (E)-3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]prop-2-enoate

(E)-3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]prop-2-enoate (PubChem CID 7174466) has the molecular formula C13H7ClNO5- and a molecular weight of 292.65 g/mol. Its IUPAC name is (E)-3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]prop-2-enoate.

Molecular Properties

Compound Name(E)-3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]prop-2-enoate
PubChem CID7174466
Molecular FormulaC13H7ClNO5-
Molecular Weight292.65 g/mol
Exact Mass292.00
IUPAC Name(E)-3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]prop-2-enoate
SMILESO=C([O-])/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1
InChIInChI=1S/C13H8ClNO5/c14-11-7-8(15(18)19)1-4-10(11)12-5-2-9(20-12)3-6-13(16)17/h1-7H,(H,16,17)/p-1/b6-3+
InChIKeyHJYSVJANLULBOJ-ZZXKWVIFSA-M
XLogP2.27
TPSA96.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.65
LogP ≤ 52.27
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

(E)-3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]prop-2-enoyl chloride
CID 17274097
(Z)-3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-2-cyanoprop-2-enamide
CID 799260
N-[4-[3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]prop-2-enoyl]phenyl]furan-2-carboxamide
CID 2953430
(E)-4-[5-(2-methyl-5-nitrophenyl)furan-2-yl]but-3-en-2-one
CID 50884965
(E)-3-(2-chloro-5-nitrophenyl)prop-2-enoate
CID 6921604
2-[(2Z)-2-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene]hydrazinyl]ethanol
CID 7224716
(E)-3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-2-(3-nitrobenzoyl)prop-2-enenitrile
CID 21381746
N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 7368852
N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-3-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 3287420
N-[(E)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylacetamide
CID 6882170
N-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-cyanoacetamide
CID 958818
N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-methylfuran-3-carboxamide
CID 6058975

Frequently Asked Questions

What is the IUPAC name of (E)-3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]prop-2-enoate?
The IUPAC name of (E)-3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]prop-2-enoate (CID 7174466) is (E)-3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]prop-2-enoate.
What is the SMILES notation for (E)-3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]prop-2-enoate?
The canonical SMILES for (E)-3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]prop-2-enoate is O=C([O-])/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1.
What is the InChIKey of (E)-3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]prop-2-enoate?
The InChIKey is HJYSVJANLULBOJ-ZZXKWVIFSA-M. The full InChI is InChI=1S/C13H8ClNO5/c14-11-7-8(15(18)19)1-4-10(11)12-5-2-9(20-12)3-6-13(16)17/h1-7H,(H,16,17)/p-1/b6-3+.
What are the key properties of (E)-3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]prop-2-enoate?
(E)-3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]prop-2-enoate has a molecular weight of 292.65 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]prop-2-enoate is sourced from PubChem (CID 7174466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).