4-(3-chloro-2-methylprop-2-enyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione

C14H21ClN2O2 — CID 106440744

IUPAC4-(3-chloro-2-methylprop-2-enyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCC(=CCl)CN1C(=O)C2(CCCCC2)NC(=O)C1C
InChIInChI=1S/C14H21ClN2O2/c1-10(8-15)9-17-11(2)12(18)16-14(13(17)19)6-4-3-5-7-14/h8,11H,3-7,9H2,1-2H3,(H,16,18)
InChIKeyZAWLOBYLYWVZOP-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.18
Rot. Bonds2

About 4-(3-chloro-2-methylprop-2-enyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione

4-(3-chloro-2-methylprop-2-enyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione (PubChem CID 106440744) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 4-(3-chloro-2-methylprop-2-enyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione.

Molecular Properties

Compound Name4-(3-chloro-2-methylprop-2-enyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione
PubChem CID106440744
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name4-(3-chloro-2-methylprop-2-enyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCC(=CCl)CN1C(=O)C2(CCCCC2)NC(=O)C1C
InChIInChI=1S/C14H21ClN2O2/c1-10(8-15)9-17-11(2)12(18)16-14(13(17)19)6-4-3-5-7-14/h8,11H,3-7,9H2,1-2H3,(H,16,18)
InChIKeyZAWLOBYLYWVZOP-UHFFFAOYSA-N
XLogP2.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(3-chloro-2-methylprop-2-enyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione with MolForge

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Related Compounds

1-(3-chloro-2-methylprop-2-enyl)-3-cyclopropyl-3,6-dimethylpiperazine-2,5-dione
CID 106440757
4-(cyclopropylmethyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64887432
8-methyl-9-propyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64886681
9-(cyclohexylmethyl)-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64886872
8-methyl-9-(2,2,2-trifluoroethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64887442
4-(2,2-dimethylbutyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 103465383
8-methyl-9-[(4-methylphenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64886488
8-methyl-9-(3-methylbutyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64887057
3-methyl-4-[(2-methylcyclopentyl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 107420986
3-methyl-4-(2,3,3-trimethylbutyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 83145037
8-methyl-9-octyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64886104
3-methyl-4-[(3-methylcyclopentyl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 107415661

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-methylprop-2-enyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione?
The IUPAC name of 4-(3-chloro-2-methylprop-2-enyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione (CID 106440744) is 4-(3-chloro-2-methylprop-2-enyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione.
What is the SMILES notation for 4-(3-chloro-2-methylprop-2-enyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione?
The canonical SMILES for 4-(3-chloro-2-methylprop-2-enyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione is CC(=CCl)CN1C(=O)C2(CCCCC2)NC(=O)C1C.
What is the InChIKey of 4-(3-chloro-2-methylprop-2-enyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione?
The InChIKey is ZAWLOBYLYWVZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-10(8-15)9-17-11(2)12(18)16-14(13(17)19)6-4-3-5-7-14/h8,11H,3-7,9H2,1-2H3,(H,16,18).
What are the key properties of 4-(3-chloro-2-methylprop-2-enyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione?
4-(3-chloro-2-methylprop-2-enyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione has a molecular weight of 284.79 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-methylprop-2-enyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione is sourced from PubChem (CID 106440744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).