2-[(E)-1-nitroprop-1-en-2-yl]naphthalene

C13H11NO2 — CID 25033772

IUPAC2-[(E)-1-nitroprop-1-en-2-yl]naphthalene
SMILESC/C(=C\[N+](=O)[O-])c1ccc2ccccc2c1
InChIInChI=1S/C13H11NO2/c1-10(9-14(15)16)12-7-6-11-4-2-3-5-13(11)8-12/h2-9H,1H3/b10-9+
InChIKeyOAEGYKOSPRACTN-MDZDMXLPSA-N
MW213.24 g/mol
LogP3.48
Rot. Bonds2

About 2-[(E)-1-nitroprop-1-en-2-yl]naphthalene

2-[(E)-1-nitroprop-1-en-2-yl]naphthalene (PubChem CID 25033772) has the molecular formula C13H11NO2 and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-[(E)-1-nitroprop-1-en-2-yl]naphthalene.

Molecular Properties

Compound Name2-[(E)-1-nitroprop-1-en-2-yl]naphthalene
PubChem CID25033772
Molecular FormulaC13H11NO2
Molecular Weight213.24 g/mol
Exact Mass213.08
IUPAC Name2-[(E)-1-nitroprop-1-en-2-yl]naphthalene
SMILESC/C(=C\[N+](=O)[O-])c1ccc2ccccc2c1
InChIInChI=1S/C13H11NO2/c1-10(9-14(15)16)12-7-6-11-4-2-3-5-13(11)8-12/h2-9H,1H3/b10-9+
InChIKeyOAEGYKOSPRACTN-MDZDMXLPSA-N
XLogP3.48
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-[(E)-1-nitroprop-1-en-2-yl]naphthalene?
The IUPAC name of 2-[(E)-1-nitroprop-1-en-2-yl]naphthalene (CID 25033772) is 2-[(E)-1-nitroprop-1-en-2-yl]naphthalene.
What is the SMILES notation for 2-[(E)-1-nitroprop-1-en-2-yl]naphthalene?
The canonical SMILES for 2-[(E)-1-nitroprop-1-en-2-yl]naphthalene is C/C(=C\[N+](=O)[O-])c1ccc2ccccc2c1.
What is the InChIKey of 2-[(E)-1-nitroprop-1-en-2-yl]naphthalene?
The InChIKey is OAEGYKOSPRACTN-MDZDMXLPSA-N. The full InChI is InChI=1S/C13H11NO2/c1-10(9-14(15)16)12-7-6-11-4-2-3-5-13(11)8-12/h2-9H,1H3/b10-9+.
What are the key properties of 2-[(E)-1-nitroprop-1-en-2-yl]naphthalene?
2-[(E)-1-nitroprop-1-en-2-yl]naphthalene has a molecular weight of 213.24 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-nitroprop-1-en-2-yl]naphthalene is sourced from PubChem (CID 25033772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).