2-methyl-6-[(Z)-3-nitro-2-[(Z)-pent-2-en-3-yl]pent-2-enoxy]pyridine

C16H22N2O3 — CID 134548096

IUPAC2-methyl-6-[(Z)-3-nitro-2-[(Z)-pent-2-en-3-yl]pent-2-enoxy]pyridine
SMILESC/C=C(CC)\C(COc1cccc(C)n1)=C(/CC)[N+](=O)[O-]
InChIInChI=1S/C16H22N2O3/c1-5-13(6-2)14(15(7-3)18(19)20)11-21-16-10-8-9-12(4)17-16/h5,8-10H,6-7,11H2,1-4H3/b13-5-,15-14+
InChIKeyMMMJERONQMCWPV-MMYBRNJXSA-N
MW290.36 g/mol
LogP4.07
Rot. Bonds7

About 2-methyl-6-[(Z)-3-nitro-2-[(Z)-pent-2-en-3-yl]pent-2-enoxy]pyridine

2-methyl-6-[(Z)-3-nitro-2-[(Z)-pent-2-en-3-yl]pent-2-enoxy]pyridine (PubChem CID 134548096) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-methyl-6-[(Z)-3-nitro-2-[(Z)-pent-2-en-3-yl]pent-2-enoxy]pyridine.

Molecular Properties

Compound Name2-methyl-6-[(Z)-3-nitro-2-[(Z)-pent-2-en-3-yl]pent-2-enoxy]pyridine
PubChem CID134548096
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-methyl-6-[(Z)-3-nitro-2-[(Z)-pent-2-en-3-yl]pent-2-enoxy]pyridine
SMILESC/C=C(CC)\C(COc1cccc(C)n1)=C(/CC)[N+](=O)[O-]
InChIInChI=1S/C16H22N2O3/c1-5-13(6-2)14(15(7-3)18(19)20)11-21-16-10-8-9-12(4)17-16/h5,8-10H,6-7,11H2,1-4H3/b13-5-,15-14+
InChIKeyMMMJERONQMCWPV-MMYBRNJXSA-N
XLogP4.07
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(Z)-3-nitro-2-[(Z)-pent-2-en-3-yl]pent-2-enoxy]pyridine?
The IUPAC name of 2-methyl-6-[(Z)-3-nitro-2-[(Z)-pent-2-en-3-yl]pent-2-enoxy]pyridine (CID 134548096) is 2-methyl-6-[(Z)-3-nitro-2-[(Z)-pent-2-en-3-yl]pent-2-enoxy]pyridine.
What is the SMILES notation for 2-methyl-6-[(Z)-3-nitro-2-[(Z)-pent-2-en-3-yl]pent-2-enoxy]pyridine?
The canonical SMILES for 2-methyl-6-[(Z)-3-nitro-2-[(Z)-pent-2-en-3-yl]pent-2-enoxy]pyridine is C/C=C(CC)\C(COc1cccc(C)n1)=C(/CC)[N+](=O)[O-].
What is the InChIKey of 2-methyl-6-[(Z)-3-nitro-2-[(Z)-pent-2-en-3-yl]pent-2-enoxy]pyridine?
The InChIKey is MMMJERONQMCWPV-MMYBRNJXSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-5-13(6-2)14(15(7-3)18(19)20)11-21-16-10-8-9-12(4)17-16/h5,8-10H,6-7,11H2,1-4H3/b13-5-,15-14+.
What are the key properties of 2-methyl-6-[(Z)-3-nitro-2-[(Z)-pent-2-en-3-yl]pent-2-enoxy]pyridine?
2-methyl-6-[(Z)-3-nitro-2-[(Z)-pent-2-en-3-yl]pent-2-enoxy]pyridine has a molecular weight of 290.36 g/mol, XLogP of 4.07, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(Z)-3-nitro-2-[(Z)-pent-2-en-3-yl]pent-2-enoxy]pyridine is sourced from PubChem (CID 134548096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).