(8Z)-6-benzyl-8-ethylidene-3,3-dimethyl-6-azaspiro[3.4]octan-7-one

C18H23NO — CID 122390216

IUPAC(8Z)-6-benzyl-8-ethylidene-3,3-dimethyl-6-azaspiro[3.4]octan-7-one
SMILESC/C=C1\C(=O)N(Cc2ccccc2)CC12CCC2(C)C
InChIInChI=1S/C18H23NO/c1-4-15-16(20)19(12-14-8-6-5-7-9-14)13-18(15)11-10-17(18,2)3/h4-9H,10-13H2,1-3H3/b15-4+
InChIKeySFLOGJXRZPUCOG-SYZQJQIISA-N
MW269.39 g/mol
LogP3.78
Rot. Bonds2

About (8Z)-6-benzyl-8-ethylidene-3,3-dimethyl-6-azaspiro[3.4]octan-7-one

(8Z)-6-benzyl-8-ethylidene-3,3-dimethyl-6-azaspiro[3.4]octan-7-one (PubChem CID 122390216) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is (8Z)-6-benzyl-8-ethylidene-3,3-dimethyl-6-azaspiro[3.4]octan-7-one.

Molecular Properties

Compound Name(8Z)-6-benzyl-8-ethylidene-3,3-dimethyl-6-azaspiro[3.4]octan-7-one
PubChem CID122390216
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name(8Z)-6-benzyl-8-ethylidene-3,3-dimethyl-6-azaspiro[3.4]octan-7-one
SMILESC/C=C1\C(=O)N(Cc2ccccc2)CC12CCC2(C)C
InChIInChI=1S/C18H23NO/c1-4-15-16(20)19(12-14-8-6-5-7-9-14)13-18(15)11-10-17(18,2)3/h4-9H,10-13H2,1-3H3/b15-4+
InChIKeySFLOGJXRZPUCOG-SYZQJQIISA-N
XLogP3.78
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (8Z)-6-benzyl-8-ethylidene-3,3-dimethyl-6-azaspiro[3.4]octan-7-one?
The IUPAC name of (8Z)-6-benzyl-8-ethylidene-3,3-dimethyl-6-azaspiro[3.4]octan-7-one (CID 122390216) is (8Z)-6-benzyl-8-ethylidene-3,3-dimethyl-6-azaspiro[3.4]octan-7-one.
What is the SMILES notation for (8Z)-6-benzyl-8-ethylidene-3,3-dimethyl-6-azaspiro[3.4]octan-7-one?
The canonical SMILES for (8Z)-6-benzyl-8-ethylidene-3,3-dimethyl-6-azaspiro[3.4]octan-7-one is C/C=C1\C(=O)N(Cc2ccccc2)CC12CCC2(C)C.
What is the InChIKey of (8Z)-6-benzyl-8-ethylidene-3,3-dimethyl-6-azaspiro[3.4]octan-7-one?
The InChIKey is SFLOGJXRZPUCOG-SYZQJQIISA-N. The full InChI is InChI=1S/C18H23NO/c1-4-15-16(20)19(12-14-8-6-5-7-9-14)13-18(15)11-10-17(18,2)3/h4-9H,10-13H2,1-3H3/b15-4+.
What are the key properties of (8Z)-6-benzyl-8-ethylidene-3,3-dimethyl-6-azaspiro[3.4]octan-7-one?
(8Z)-6-benzyl-8-ethylidene-3,3-dimethyl-6-azaspiro[3.4]octan-7-one has a molecular weight of 269.39 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8Z)-6-benzyl-8-ethylidene-3,3-dimethyl-6-azaspiro[3.4]octan-7-one is sourced from PubChem (CID 122390216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).