8-nitro-2-[(E)-prop-1-enyl]quinoline

C12H10N2O2 — CID 66572859

IUPAC8-nitro-2-[(E)-prop-1-enyl]quinoline
SMILESC/C=C/c1ccc2cccc([N+](=O)[O-])c2n1
InChIInChI=1S/C12H10N2O2/c1-2-4-10-8-7-9-5-3-6-11(14(15)16)12(9)13-10/h2-8H,1H3/b4-2+
InChIKeyJABVQIYQFYIPJM-DUXPYHPUSA-N
MW214.22 g/mol
LogP3.18
Rot. Bonds2

About 8-nitro-2-[(E)-prop-1-enyl]quinoline

8-nitro-2-[(E)-prop-1-enyl]quinoline (PubChem CID 66572859) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 8-nitro-2-[(E)-prop-1-enyl]quinoline.

Molecular Properties

Compound Name8-nitro-2-[(E)-prop-1-enyl]quinoline
PubChem CID66572859
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name8-nitro-2-[(E)-prop-1-enyl]quinoline
SMILESC/C=C/c1ccc2cccc([N+](=O)[O-])c2n1
InChIInChI=1S/C12H10N2O2/c1-2-4-10-8-7-9-5-3-6-11(14(15)16)12(9)13-10/h2-8H,1H3/b4-2+
InChIKeyJABVQIYQFYIPJM-DUXPYHPUSA-N
XLogP3.18
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 53.18
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 8-nitro-2-[(E)-prop-1-enyl]quinoline?
The IUPAC name of 8-nitro-2-[(E)-prop-1-enyl]quinoline (CID 66572859) is 8-nitro-2-[(E)-prop-1-enyl]quinoline.
What is the SMILES notation for 8-nitro-2-[(E)-prop-1-enyl]quinoline?
The canonical SMILES for 8-nitro-2-[(E)-prop-1-enyl]quinoline is C/C=C/c1ccc2cccc([N+](=O)[O-])c2n1.
What is the InChIKey of 8-nitro-2-[(E)-prop-1-enyl]quinoline?
The InChIKey is JABVQIYQFYIPJM-DUXPYHPUSA-N. The full InChI is InChI=1S/C12H10N2O2/c1-2-4-10-8-7-9-5-3-6-11(14(15)16)12(9)13-10/h2-8H,1H3/b4-2+.
What are the key properties of 8-nitro-2-[(E)-prop-1-enyl]quinoline?
8-nitro-2-[(E)-prop-1-enyl]quinoline has a molecular weight of 214.22 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-nitro-2-[(E)-prop-1-enyl]quinoline is sourced from PubChem (CID 66572859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).