1-methoxy-4-[(Z)-2-nitroprop-1-enyl]benzene

C10H11NO3 — CID 5372879

IUPAC1-methoxy-4-[(Z)-2-nitroprop-1-enyl]benzene
SMILESCOc1ccc(/C=C(/C)[N+](=O)[O-])cc1
InChIInChI=1S/C10H11NO3/c1-8(11(12)13)7-9-3-5-10(14-2)6-4-9/h3-7H,1-2H3/b8-7-
InChIKeyXQGFRDLMKKKSAH-FPLPWBNLSA-N
MW193.20 g/mol
LogP2.33
Rot. Bonds3

About 1-methoxy-4-[(Z)-2-nitroprop-1-enyl]benzene

1-methoxy-4-[(Z)-2-nitroprop-1-enyl]benzene (PubChem CID 5372879) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 1-methoxy-4-[(Z)-2-nitroprop-1-enyl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[(Z)-2-nitroprop-1-enyl]benzene
PubChem CID5372879
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name1-methoxy-4-[(Z)-2-nitroprop-1-enyl]benzene
SMILESCOc1ccc(/C=C(/C)[N+](=O)[O-])cc1
InChIInChI=1S/C10H11NO3/c1-8(11(12)13)7-9-3-5-10(14-2)6-4-9/h3-7H,1-2H3/b8-7-
InChIKeyXQGFRDLMKKKSAH-FPLPWBNLSA-N
XLogP2.33
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[(Z)-2-nitroprop-1-enyl]benzene?
The IUPAC name of 1-methoxy-4-[(Z)-2-nitroprop-1-enyl]benzene (CID 5372879) is 1-methoxy-4-[(Z)-2-nitroprop-1-enyl]benzene.
What is the SMILES notation for 1-methoxy-4-[(Z)-2-nitroprop-1-enyl]benzene?
The canonical SMILES for 1-methoxy-4-[(Z)-2-nitroprop-1-enyl]benzene is COc1ccc(/C=C(/C)[N+](=O)[O-])cc1.
What is the InChIKey of 1-methoxy-4-[(Z)-2-nitroprop-1-enyl]benzene?
The InChIKey is XQGFRDLMKKKSAH-FPLPWBNLSA-N. The full InChI is InChI=1S/C10H11NO3/c1-8(11(12)13)7-9-3-5-10(14-2)6-4-9/h3-7H,1-2H3/b8-7-.
What are the key properties of 1-methoxy-4-[(Z)-2-nitroprop-1-enyl]benzene?
1-methoxy-4-[(Z)-2-nitroprop-1-enyl]benzene has a molecular weight of 193.20 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[(Z)-2-nitroprop-1-enyl]benzene is sourced from PubChem (CID 5372879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).