8-[3,3-bis(3,5-dichlorophenyl)prop-2-enyl]-4-hydroxy-3,4-dimethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride

C24H25Cl5N2O3 — CID 19887472

IUPAC8-[3,3-bis(3,5-dichlorophenyl)prop-2-enyl]-4-hydroxy-3,4-dimethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride
SMILESCN1C(=O)OC2(CCN(CC=C(c3cc(Cl)cc(Cl)c3)c3cc(Cl)cc(Cl)c3)CC2)C1(C)O.Cl
InChIInChI=1S/C24H24Cl4N2O3.ClH/c1-23(32)24(33-22(31)29(23)2)4-7-30(8-5-24)6-3-21(15-9-17(25)13-18(26)10-15)16-11-19(27)14-20(28)12-16;/h3,9-14,32H,4-8H2,1-2H3;1H
InChIKeyKREHAEVVWAJSAY-UHFFFAOYSA-N
MW566.74 g/mol
LogP6.78
Rot. Bonds4

About 8-[3,3-bis(3,5-dichlorophenyl)prop-2-enyl]-4-hydroxy-3,4-dimethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride

8-[3,3-bis(3,5-dichlorophenyl)prop-2-enyl]-4-hydroxy-3,4-dimethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride (PubChem CID 19887472) has the molecular formula C24H25Cl5N2O3 and a molecular weight of 566.74 g/mol. Its IUPAC name is 8-[3,3-bis(3,5-dichlorophenyl)prop-2-enyl]-4-hydroxy-3,4-dimethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride.

Molecular Properties

Compound Name8-[3,3-bis(3,5-dichlorophenyl)prop-2-enyl]-4-hydroxy-3,4-dimethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride
PubChem CID19887472
Molecular FormulaC24H25Cl5N2O3
Molecular Weight566.74 g/mol
Exact Mass564.03
IUPAC Name8-[3,3-bis(3,5-dichlorophenyl)prop-2-enyl]-4-hydroxy-3,4-dimethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride
SMILESCN1C(=O)OC2(CCN(CC=C(c3cc(Cl)cc(Cl)c3)c3cc(Cl)cc(Cl)c3)CC2)C1(C)O.Cl
InChIInChI=1S/C24H24Cl4N2O3.ClH/c1-23(32)24(33-22(31)29(23)2)4-7-30(8-5-24)6-3-21(15-9-17(25)13-18(26)10-15)16-11-19(27)14-20(28)12-16;/h3,9-14,32H,4-8H2,1-2H3;1H
InChIKeyKREHAEVVWAJSAY-UHFFFAOYSA-N
XLogP6.78
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.74
LogP ≤ 56.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-[3,3-bis(3,5-dichlorophenyl)prop-2-enyl]-4-hydroxy-3,4-dimethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[3,3-bis(3,5-dichlorophenyl)prop-2-enyl]-4-hydroxy-3,4-dimethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride?
The IUPAC name of 8-[3,3-bis(3,5-dichlorophenyl)prop-2-enyl]-4-hydroxy-3,4-dimethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride (CID 19887472) is 8-[3,3-bis(3,5-dichlorophenyl)prop-2-enyl]-4-hydroxy-3,4-dimethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride.
What is the SMILES notation for 8-[3,3-bis(3,5-dichlorophenyl)prop-2-enyl]-4-hydroxy-3,4-dimethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride?
The canonical SMILES for 8-[3,3-bis(3,5-dichlorophenyl)prop-2-enyl]-4-hydroxy-3,4-dimethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride is CN1C(=O)OC2(CCN(CC=C(c3cc(Cl)cc(Cl)c3)c3cc(Cl)cc(Cl)c3)CC2)C1(C)O.Cl.
What is the InChIKey of 8-[3,3-bis(3,5-dichlorophenyl)prop-2-enyl]-4-hydroxy-3,4-dimethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride?
The InChIKey is KREHAEVVWAJSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl4N2O3.ClH/c1-23(32)24(33-22(31)29(23)2)4-7-30(8-5-24)6-3-21(15-9-17(25)13-18(26)10-15)16-11-19(27)14-20(28)12-16;/h3,9-14,32H,4-8H2,1-2H3;1H.
What are the key properties of 8-[3,3-bis(3,5-dichlorophenyl)prop-2-enyl]-4-hydroxy-3,4-dimethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride?
8-[3,3-bis(3,5-dichlorophenyl)prop-2-enyl]-4-hydroxy-3,4-dimethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride has a molecular weight of 566.74 g/mol, XLogP of 6.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3,3-bis(3,5-dichlorophenyl)prop-2-enyl]-4-hydroxy-3,4-dimethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride is sourced from PubChem (CID 19887472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).