but-2-enedioic acid;N-(2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)hydroxylamine;methoxymethane

C16H28N2O7 — CID 173327994

IUPACbut-2-enedioic acid;N-(2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)hydroxylamine;methoxymethane
SMILESCC1OC2(CCN(C)CC2)CC1=NO.COC.O=C(O)C=CC(=O)O
InChIInChI=1S/C10H18N2O2.C4H4O4.C2H6O/c1-8-9(11-13)7-10(14-8)3-5-12(2)6-4-10;5-3(6)1-2-4(7)8;1-3-2/h8,13H,3-7H2,1-2H3;1-2H,(H,5,6)(H,7,8);1-2H3
InChIKeyYSJOEJXCYRKQQC-UHFFFAOYSA-N
MW360.41 g/mol
LogP1.06
Rot. Bonds2

About but-2-enedioic acid;N-(2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)hydroxylamine;methoxymethane

but-2-enedioic acid;N-(2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)hydroxylamine;methoxymethane (PubChem CID 173327994) has the molecular formula C16H28N2O7 and a molecular weight of 360.41 g/mol. Its IUPAC name is but-2-enedioic acid;N-(2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)hydroxylamine;methoxymethane.

Molecular Properties

Compound Namebut-2-enedioic acid;N-(2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)hydroxylamine;methoxymethane
PubChem CID173327994
Molecular FormulaC16H28N2O7
Molecular Weight360.41 g/mol
Exact Mass360.19
IUPAC Namebut-2-enedioic acid;N-(2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)hydroxylamine;methoxymethane
SMILESCC1OC2(CCN(C)CC2)CC1=NO.COC.O=C(O)C=CC(=O)O
InChIInChI=1S/C10H18N2O2.C4H4O4.C2H6O/c1-8-9(11-13)7-10(14-8)3-5-12(2)6-4-10;5-3(6)1-2-4(7)8;1-3-2/h8,13H,3-7H2,1-2H3;1-2H,(H,5,6)(H,7,8);1-2H3
InChIKeyYSJOEJXCYRKQQC-UHFFFAOYSA-N
XLogP1.06
TPSA128.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 but-2-enedioic acid;N-(2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)hydroxylamine;methoxymethane?
The IUPAC name of but-2-enedioic acid;N-(2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)hydroxylamine;methoxymethane (CID 173327994) is but-2-enedioic acid;N-(2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)hydroxylamine;methoxymethane.
What is the SMILES notation for but-2-enedioic acid;N-(2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)hydroxylamine;methoxymethane?
The canonical SMILES for but-2-enedioic acid;N-(2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)hydroxylamine;methoxymethane is CC1OC2(CCN(C)CC2)CC1=NO.COC.O=C(O)C=CC(=O)O.
What is the InChIKey of but-2-enedioic acid;N-(2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)hydroxylamine;methoxymethane?
The InChIKey is YSJOEJXCYRKQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2.C4H4O4.C2H6O/c1-8-9(11-13)7-10(14-8)3-5-12(2)6-4-10;5-3(6)1-2-4(7)8;1-3-2/h8,13H,3-7H2,1-2H3;1-2H,(H,5,6)(H,7,8);1-2H3.
What are the key properties of but-2-enedioic acid;N-(2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)hydroxylamine;methoxymethane?
but-2-enedioic acid;N-(2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)hydroxylamine;methoxymethane has a molecular weight of 360.41 g/mol, XLogP of 1.06, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-enedioic acid;N-(2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-ylidene)hydroxylamine;methoxymethane is sourced from PubChem (CID 173327994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).