(3Z)-3-ethylidene-2,8-dimethyl-1-oxa-8-azaspiro[4.5]decane

C12H21NO — CID 19939730

IUPAC(3Z)-3-ethylidene-2,8-dimethyl-1-oxa-8-azaspiro[4.5]decane
SMILESC/C=C1/CC2(CCN(C)CC2)OC1C
InChIInChI=1S/C12H21NO/c1-4-11-9-12(14-10(11)2)5-7-13(3)8-6-12/h4,10H,5-9H2,1-3H3/b11-4-
InChIKeySBOXIRRKTOEDTN-WCIBSUBMSA-N
MW195.31 g/mol
LogP2.21
Rot. Bonds

About (3Z)-3-ethylidene-2,8-dimethyl-1-oxa-8-azaspiro[4.5]decane

(3Z)-3-ethylidene-2,8-dimethyl-1-oxa-8-azaspiro[4.5]decane (PubChem CID 19939730) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (3Z)-3-ethylidene-2,8-dimethyl-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name(3Z)-3-ethylidene-2,8-dimethyl-1-oxa-8-azaspiro[4.5]decane
PubChem CID19939730
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(3Z)-3-ethylidene-2,8-dimethyl-1-oxa-8-azaspiro[4.5]decane
SMILESC/C=C1/CC2(CCN(C)CC2)OC1C
InChIInChI=1S/C12H21NO/c1-4-11-9-12(14-10(11)2)5-7-13(3)8-6-12/h4,10H,5-9H2,1-3H3/b11-4-
InChIKeySBOXIRRKTOEDTN-WCIBSUBMSA-N
XLogP2.21
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-ethylidene-2,8-dimethyl-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of (3Z)-3-ethylidene-2,8-dimethyl-1-oxa-8-azaspiro[4.5]decane (CID 19939730) is (3Z)-3-ethylidene-2,8-dimethyl-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for (3Z)-3-ethylidene-2,8-dimethyl-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for (3Z)-3-ethylidene-2,8-dimethyl-1-oxa-8-azaspiro[4.5]decane is C/C=C1/CC2(CCN(C)CC2)OC1C.
What is the InChIKey of (3Z)-3-ethylidene-2,8-dimethyl-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is SBOXIRRKTOEDTN-WCIBSUBMSA-N. The full InChI is InChI=1S/C12H21NO/c1-4-11-9-12(14-10(11)2)5-7-13(3)8-6-12/h4,10H,5-9H2,1-3H3/b11-4-.
What are the key properties of (3Z)-3-ethylidene-2,8-dimethyl-1-oxa-8-azaspiro[4.5]decane?
(3Z)-3-ethylidene-2,8-dimethyl-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 195.31 g/mol, XLogP of 2.21, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-ethylidene-2,8-dimethyl-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 19939730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).