methyl (Z)-3-(4-methoxy-2-nitrophenyl)prop-2-enoate

C11H11NO5 — CID 140551592

IUPACmethyl (Z)-3-(4-methoxy-2-nitrophenyl)prop-2-enoate
SMILESCOC(=O)/C=C\c1ccc(OC)cc1[N+](=O)[O-]
InChIInChI=1S/C11H11NO5/c1-16-9-5-3-8(4-6-11(13)17-2)10(7-9)12(14)15/h3-7H,1-2H3/b6-4-
InChIKeyFZWUSOGKUSDLAW-XQRVVYSFSA-N
MW237.21 g/mol
LogP1.79
Rot. Bonds4

About methyl (Z)-3-(4-methoxy-2-nitrophenyl)prop-2-enoate

methyl (Z)-3-(4-methoxy-2-nitrophenyl)prop-2-enoate (PubChem CID 140551592) has the molecular formula C11H11NO5 and a molecular weight of 237.21 g/mol. Its IUPAC name is methyl (Z)-3-(4-methoxy-2-nitrophenyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-3-(4-methoxy-2-nitrophenyl)prop-2-enoate
PubChem CID140551592
Molecular FormulaC11H11NO5
Molecular Weight237.21 g/mol
Exact Mass237.06
IUPAC Namemethyl (Z)-3-(4-methoxy-2-nitrophenyl)prop-2-enoate
SMILESCOC(=O)/C=C\c1ccc(OC)cc1[N+](=O)[O-]
InChIInChI=1S/C11H11NO5/c1-16-9-5-3-8(4-6-11(13)17-2)10(7-9)12(14)15/h3-7H,1-2H3/b6-4-
InChIKeyFZWUSOGKUSDLAW-XQRVVYSFSA-N
XLogP1.79
TPSA78.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 51.79
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

methyl 4-[(E)-3-methoxy-3-oxoprop-1-enyl]-3-nitrobenzoate
CID 15330582
(4-methoxy-2-nitrophenyl) 3-(2-nitrophenyl)prop-2-enoate
CID 76859394
1-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-4-methoxy-2-nitrobenzene
CID 25050646
methyl 3-(4,5-dichloro-2-nitrophenyl)prop-2-enoate
CID 54411754
4-(4-methoxy-2-nitrophenyl)but-3-en-1-ol
CID 170477231
1-[2-(2-bromophenyl)ethenyl]-4-methoxy-2-nitrobenzene
CID 53434856
methyl 3-(4-formyl-3-nitrophenyl)prop-2-enoate
CID 169479494
[1-(4-methoxy-2-nitroanilino)-1-oxopropan-2-yl] (E)-3-(2,4-dimethoxyphenyl)prop-2-enoate
CID 46619075
1-(3-bromoprop-1-enyl)-4-methoxy-2-nitrobenzene
CID 68696051
ethyl (E)-3-[4-(2-methoxyethoxy)-2-nitrophenyl]prop-2-enoate
CID 86617663
(E)-3-(4-methoxy-2-nitrophenyl)-2-methylprop-2-enoic acid
CID 66774250
methyl (E)-3-(5-methoxy-2-methylphenyl)prop-2-enoate
CID 13415110

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-3-(4-methoxy-2-nitrophenyl)prop-2-enoate?
The IUPAC name of methyl (Z)-3-(4-methoxy-2-nitrophenyl)prop-2-enoate (CID 140551592) is methyl (Z)-3-(4-methoxy-2-nitrophenyl)prop-2-enoate.
What is the SMILES notation for methyl (Z)-3-(4-methoxy-2-nitrophenyl)prop-2-enoate?
The canonical SMILES for methyl (Z)-3-(4-methoxy-2-nitrophenyl)prop-2-enoate is COC(=O)/C=C\c1ccc(OC)cc1[N+](=O)[O-].
What is the InChIKey of methyl (Z)-3-(4-methoxy-2-nitrophenyl)prop-2-enoate?
The InChIKey is FZWUSOGKUSDLAW-XQRVVYSFSA-N. The full InChI is InChI=1S/C11H11NO5/c1-16-9-5-3-8(4-6-11(13)17-2)10(7-9)12(14)15/h3-7H,1-2H3/b6-4-.
What are the key properties of methyl (Z)-3-(4-methoxy-2-nitrophenyl)prop-2-enoate?
methyl (Z)-3-(4-methoxy-2-nitrophenyl)prop-2-enoate has a molecular weight of 237.21 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-3-(4-methoxy-2-nitrophenyl)prop-2-enoate is sourced from PubChem (CID 140551592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).