methyl (2Z)-2-nitro-2-(1,3-oxazinan-2-ylidene)acetate

C7H10N2O5 — CID 13251769

IUPACmethyl (2Z)-2-nitro-2-(1,3-oxazinan-2-ylidene)acetate
SMILESCOC(=O)/C(=C1\NCCCO1)[N+](=O)[O-]
InChIInChI=1S/C7H10N2O5/c1-13-7(10)5(9(11)12)6-8-3-2-4-14-6/h8H,2-4H2,1H3/b6-5-
InChIKeyHSWFEAUCTMHCKV-WAYWQWQTSA-N
MW202.17 g/mol
LogP-0.38
Rot. Bonds2

About methyl (2Z)-2-nitro-2-(1,3-oxazinan-2-ylidene)acetate

methyl (2Z)-2-nitro-2-(1,3-oxazinan-2-ylidene)acetate (PubChem CID 13251769) has the molecular formula C7H10N2O5 and a molecular weight of 202.17 g/mol. Its IUPAC name is methyl (2Z)-2-nitro-2-(1,3-oxazinan-2-ylidene)acetate.

Molecular Properties

Compound Namemethyl (2Z)-2-nitro-2-(1,3-oxazinan-2-ylidene)acetate
PubChem CID13251769
Molecular FormulaC7H10N2O5
Molecular Weight202.17 g/mol
Exact Mass202.06
IUPAC Namemethyl (2Z)-2-nitro-2-(1,3-oxazinan-2-ylidene)acetate
SMILESCOC(=O)/C(=C1\NCCCO1)[N+](=O)[O-]
InChIInChI=1S/C7H10N2O5/c1-13-7(10)5(9(11)12)6-8-3-2-4-14-6/h8H,2-4H2,1H3/b6-5-
InChIKeyHSWFEAUCTMHCKV-WAYWQWQTSA-N
XLogP-0.38
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.17
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-2-nitro-2-(1,3-oxazinan-2-ylidene)acetate?
The IUPAC name of methyl (2Z)-2-nitro-2-(1,3-oxazinan-2-ylidene)acetate (CID 13251769) is methyl (2Z)-2-nitro-2-(1,3-oxazinan-2-ylidene)acetate.
What is the SMILES notation for methyl (2Z)-2-nitro-2-(1,3-oxazinan-2-ylidene)acetate?
The canonical SMILES for methyl (2Z)-2-nitro-2-(1,3-oxazinan-2-ylidene)acetate is COC(=O)/C(=C1\NCCCO1)[N+](=O)[O-].
What is the InChIKey of methyl (2Z)-2-nitro-2-(1,3-oxazinan-2-ylidene)acetate?
The InChIKey is HSWFEAUCTMHCKV-WAYWQWQTSA-N. The full InChI is InChI=1S/C7H10N2O5/c1-13-7(10)5(9(11)12)6-8-3-2-4-14-6/h8H,2-4H2,1H3/b6-5-.
What are the key properties of methyl (2Z)-2-nitro-2-(1,3-oxazinan-2-ylidene)acetate?
methyl (2Z)-2-nitro-2-(1,3-oxazinan-2-ylidene)acetate has a molecular weight of 202.17 g/mol, XLogP of -0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-2-nitro-2-(1,3-oxazinan-2-ylidene)acetate is sourced from PubChem (CID 13251769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).