8-hydroxy-2-(4-propan-2-ylphenyl)-8-prop-1-en-2-yl-2-azaspiro[4.5]decan-1-one

C21H29NO2 — CID 58229910

IUPAC8-hydroxy-2-(4-propan-2-ylphenyl)-8-prop-1-en-2-yl-2-azaspiro[4.5]decan-1-one
SMILESC=C(C)C1(O)CCC2(CCN(c3ccc(C(C)C)cc3)C2=O)CC1
InChIInChI=1S/C21H29NO2/c1-15(2)17-5-7-18(8-6-17)22-14-13-20(19(22)23)9-11-21(24,12-10-20)16(3)4/h5-8,15,24H,3,9-14H2,1-2,4H3
InChIKeyUYSKFQRHOQIBFF-UHFFFAOYSA-N
MW327.47 g/mol
LogP4.41
Rot. Bonds3

About 8-hydroxy-2-(4-propan-2-ylphenyl)-8-prop-1-en-2-yl-2-azaspiro[4.5]decan-1-one

8-hydroxy-2-(4-propan-2-ylphenyl)-8-prop-1-en-2-yl-2-azaspiro[4.5]decan-1-one (PubChem CID 58229910) has the molecular formula C21H29NO2 and a molecular weight of 327.47 g/mol. Its IUPAC name is 8-hydroxy-2-(4-propan-2-ylphenyl)-8-prop-1-en-2-yl-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-hydroxy-2-(4-propan-2-ylphenyl)-8-prop-1-en-2-yl-2-azaspiro[4.5]decan-1-one
PubChem CID58229910
Molecular FormulaC21H29NO2
Molecular Weight327.47 g/mol
Exact Mass327.22
IUPAC Name8-hydroxy-2-(4-propan-2-ylphenyl)-8-prop-1-en-2-yl-2-azaspiro[4.5]decan-1-one
SMILESC=C(C)C1(O)CCC2(CCN(c3ccc(C(C)C)cc3)C2=O)CC1
InChIInChI=1S/C21H29NO2/c1-15(2)17-5-7-18(8-6-17)22-14-13-20(19(22)23)9-11-21(24,12-10-20)16(3)4/h5-8,15,24H,3,9-14H2,1-2,4H3
InChIKeyUYSKFQRHOQIBFF-UHFFFAOYSA-N
XLogP4.41
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 54.41
H-Bond Donors ≤ 51
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 8-hydroxy-2-(4-propan-2-ylphenyl)-8-prop-1-en-2-yl-2-azaspiro[4.5]decan-1-one?
The IUPAC name of 8-hydroxy-2-(4-propan-2-ylphenyl)-8-prop-1-en-2-yl-2-azaspiro[4.5]decan-1-one (CID 58229910) is 8-hydroxy-2-(4-propan-2-ylphenyl)-8-prop-1-en-2-yl-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-hydroxy-2-(4-propan-2-ylphenyl)-8-prop-1-en-2-yl-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for 8-hydroxy-2-(4-propan-2-ylphenyl)-8-prop-1-en-2-yl-2-azaspiro[4.5]decan-1-one is C=C(C)C1(O)CCC2(CCN(c3ccc(C(C)C)cc3)C2=O)CC1.
What is the InChIKey of 8-hydroxy-2-(4-propan-2-ylphenyl)-8-prop-1-en-2-yl-2-azaspiro[4.5]decan-1-one?
The InChIKey is UYSKFQRHOQIBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO2/c1-15(2)17-5-7-18(8-6-17)22-14-13-20(19(22)23)9-11-21(24,12-10-20)16(3)4/h5-8,15,24H,3,9-14H2,1-2,4H3.
What are the key properties of 8-hydroxy-2-(4-propan-2-ylphenyl)-8-prop-1-en-2-yl-2-azaspiro[4.5]decan-1-one?
8-hydroxy-2-(4-propan-2-ylphenyl)-8-prop-1-en-2-yl-2-azaspiro[4.5]decan-1-one has a molecular weight of 327.47 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-2-(4-propan-2-ylphenyl)-8-prop-1-en-2-yl-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 58229910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).