1-[(E)-3-chloroprop-2-enyl]-3-ethyl-1,4-diazaspiro[5.5]undecane-2,5-dione

C14H21ClN2O2 — CID 107902131

IUPAC1-[(E)-3-chloroprop-2-enyl]-3-ethyl-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCCC1NC(=O)C2(CCCCC2)N(C/C=C/Cl)C1=O
InChIInChI=1S/C14H21ClN2O2/c1-2-11-12(18)17(10-6-9-15)14(13(19)16-11)7-4-3-5-8-14/h6,9,11H,2-5,7-8,10H2,1H3,(H,16,19)/b9-6+
InChIKeyAVRPQHYIVNCSLW-RMKNXTFCSA-N
MW284.79 g/mol
LogP2.18
Rot. Bonds3

About 1-[(E)-3-chloroprop-2-enyl]-3-ethyl-1,4-diazaspiro[5.5]undecane-2,5-dione

1-[(E)-3-chloroprop-2-enyl]-3-ethyl-1,4-diazaspiro[5.5]undecane-2,5-dione (PubChem CID 107902131) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 1-[(E)-3-chloroprop-2-enyl]-3-ethyl-1,4-diazaspiro[5.5]undecane-2,5-dione.

Molecular Properties

Compound Name1-[(E)-3-chloroprop-2-enyl]-3-ethyl-1,4-diazaspiro[5.5]undecane-2,5-dione
PubChem CID107902131
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name1-[(E)-3-chloroprop-2-enyl]-3-ethyl-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCCC1NC(=O)C2(CCCCC2)N(C/C=C/Cl)C1=O
InChIInChI=1S/C14H21ClN2O2/c1-2-11-12(18)17(10-6-9-15)14(13(19)16-11)7-4-3-5-8-14/h6,9,11H,2-5,7-8,10H2,1H3,(H,16,19)/b9-6+
InChIKeyAVRPQHYIVNCSLW-RMKNXTFCSA-N
XLogP2.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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 1-[(E)-3-chloroprop-2-enyl]-3-ethyl-1,4-diazaspiro[5.5]undecane-2,5-dione with MolForge

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Related Compounds

1-[(E)-but-2-enyl]-3-propyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 107898217
6-[(E)-but-2-enyl]-8-propyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 107898216
1-prop-2-enyl-3-propyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64872407
1-[(E)-but-2-enyl]-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 107898199
8-ethyl-6-(2-propoxyethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 106459014
1,3-dipropyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64872406
1-[(E)-3-chloroprop-2-enyl]-6-ethyl-6-methyl-3-propylpiperazine-2,5-dione
CID 107902046
8-butan-2-yl-6-[(E)-but-2-enyl]-6,9-diazaspiro[4.5]decane-7,10-dione
CID 107898298
9-[(E)-3-chloroprop-2-enyl]-8,8-diethyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 107902258
8-cyclohexyl-6-prop-2-enyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64878683
3-tert-butyl-1-ethyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64903246
1-[(E)-3-chloroprop-2-enyl]-6,6-diethyl-3-methylpiperazine-2,5-dione
CID 107902012

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-chloroprop-2-enyl]-3-ethyl-1,4-diazaspiro[5.5]undecane-2,5-dione?
The IUPAC name of 1-[(E)-3-chloroprop-2-enyl]-3-ethyl-1,4-diazaspiro[5.5]undecane-2,5-dione (CID 107902131) is 1-[(E)-3-chloroprop-2-enyl]-3-ethyl-1,4-diazaspiro[5.5]undecane-2,5-dione.
What is the SMILES notation for 1-[(E)-3-chloroprop-2-enyl]-3-ethyl-1,4-diazaspiro[5.5]undecane-2,5-dione?
The canonical SMILES for 1-[(E)-3-chloroprop-2-enyl]-3-ethyl-1,4-diazaspiro[5.5]undecane-2,5-dione is CCC1NC(=O)C2(CCCCC2)N(C/C=C/Cl)C1=O.
What is the InChIKey of 1-[(E)-3-chloroprop-2-enyl]-3-ethyl-1,4-diazaspiro[5.5]undecane-2,5-dione?
The InChIKey is AVRPQHYIVNCSLW-RMKNXTFCSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-2-11-12(18)17(10-6-9-15)14(13(19)16-11)7-4-3-5-8-14/h6,9,11H,2-5,7-8,10H2,1H3,(H,16,19)/b9-6+.
What are the key properties of 1-[(E)-3-chloroprop-2-enyl]-3-ethyl-1,4-diazaspiro[5.5]undecane-2,5-dione?
1-[(E)-3-chloroprop-2-enyl]-3-ethyl-1,4-diazaspiro[5.5]undecane-2,5-dione has a molecular weight of 284.79 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-chloroprop-2-enyl]-3-ethyl-1,4-diazaspiro[5.5]undecane-2,5-dione is sourced from PubChem (CID 107902131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).