8-[3,3-bis(3,5-dichlorophenyl)prop-2-enyl]-3-methyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C24H22Cl4N2O2 — CID 19814239

IUPAC8-[3,3-bis(3,5-dichlorophenyl)prop-2-enyl]-3-methyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESC=C1N(C)C(=O)OC12CCN(CC=C(c1cc(Cl)cc(Cl)c1)c1cc(Cl)cc(Cl)c1)CC2
InChIInChI=1S/C24H22Cl4N2O2/c1-15-24(32-23(31)29(15)2)4-7-30(8-5-24)6-3-22(16-9-18(25)13-19(26)10-16)17-11-20(27)14-21(28)12-17/h3,9-14H,1,4-8H2,2H3
InChIKeyRTAUMPPQIYWPPG-UHFFFAOYSA-N
MW512.26 g/mol
LogP7.16
Rot. Bonds4

About 8-[3,3-bis(3,5-dichlorophenyl)prop-2-enyl]-3-methyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-[3,3-bis(3,5-dichlorophenyl)prop-2-enyl]-3-methyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 19814239) has the molecular formula C24H22Cl4N2O2 and a molecular weight of 512.26 g/mol. Its IUPAC name is 8-[3,3-bis(3,5-dichlorophenyl)prop-2-enyl]-3-methyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[3,3-bis(3,5-dichlorophenyl)prop-2-enyl]-3-methyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID19814239
Molecular FormulaC24H22Cl4N2O2
Molecular Weight512.26 g/mol
Exact Mass510.04
IUPAC Name8-[3,3-bis(3,5-dichlorophenyl)prop-2-enyl]-3-methyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESC=C1N(C)C(=O)OC12CCN(CC=C(c1cc(Cl)cc(Cl)c1)c1cc(Cl)cc(Cl)c1)CC2
InChIInChI=1S/C24H22Cl4N2O2/c1-15-24(32-23(31)29(15)2)4-7-30(8-5-24)6-3-22(16-9-18(25)13-19(26)10-16)17-11-20(27)14-21(28)12-17/h3,9-14H,1,4-8H2,2H3
InChIKeyRTAUMPPQIYWPPG-UHFFFAOYSA-N
XLogP7.16
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.26
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[3,3-bis(3,5-dichlorophenyl)prop-2-enyl]-3-methyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[3,3-bis(3,5-dichlorophenyl)prop-2-enyl]-3-methyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 19814239) is 8-[3,3-bis(3,5-dichlorophenyl)prop-2-enyl]-3-methyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[3,3-bis(3,5-dichlorophenyl)prop-2-enyl]-3-methyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[3,3-bis(3,5-dichlorophenyl)prop-2-enyl]-3-methyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one is C=C1N(C)C(=O)OC12CCN(CC=C(c1cc(Cl)cc(Cl)c1)c1cc(Cl)cc(Cl)c1)CC2.
What is the InChIKey of 8-[3,3-bis(3,5-dichlorophenyl)prop-2-enyl]-3-methyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is RTAUMPPQIYWPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl4N2O2/c1-15-24(32-23(31)29(15)2)4-7-30(8-5-24)6-3-22(16-9-18(25)13-19(26)10-16)17-11-20(27)14-21(28)12-17/h3,9-14H,1,4-8H2,2H3.
What are the key properties of 8-[3,3-bis(3,5-dichlorophenyl)prop-2-enyl]-3-methyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-[3,3-bis(3,5-dichlorophenyl)prop-2-enyl]-3-methyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 512.26 g/mol, XLogP of 7.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3,3-bis(3,5-dichlorophenyl)prop-2-enyl]-3-methyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 19814239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).