5-(3-chlorophenyl)-6-(1-ethoxypropan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one

C16H21ClN2O2 — CID 83245613

IUPAC5-(3-chlorophenyl)-6-(1-ethoxypropan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCOCC(C)N1C(=O)C2(CC2)NC1c1cccc(Cl)c1
InChIInChI=1S/C16H21ClN2O2/c1-3-21-10-11(2)19-14(12-5-4-6-13(17)9-12)18-16(7-8-16)15(19)20/h4-6,9,11,14,18H,3,7-8,10H2,1-2H3
InChIKeyRBVHWAWNZOTBKD-UHFFFAOYSA-N
MW308.81 g/mol
LogP2.73
Rot. Bonds5

About 5-(3-chlorophenyl)-6-(1-ethoxypropan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one

5-(3-chlorophenyl)-6-(1-ethoxypropan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83245613) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-6-(1-ethoxypropan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name5-(3-chlorophenyl)-6-(1-ethoxypropan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83245613
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC Name5-(3-chlorophenyl)-6-(1-ethoxypropan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCOCC(C)N1C(=O)C2(CC2)NC1c1cccc(Cl)c1
InChIInChI=1S/C16H21ClN2O2/c1-3-21-10-11(2)19-14(12-5-4-6-13(17)9-12)18-16(7-8-16)15(19)20/h4-6,9,11,14,18H,3,7-8,10H2,1-2H3
InChIKeyRBVHWAWNZOTBKD-UHFFFAOYSA-N
XLogP2.73
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(1-ethoxypropan-2-yl)-5-(4-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83248467
5-(3-chlorophenyl)-6-(2-ethoxyethyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83237717
5-(3-fluorophenyl)-6-(1-methoxypropan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83239801
2-(3-chlorophenyl)-5-ethyl-5-methyl-3-pentan-2-ylimidazolidin-4-one
CID 83238166
5-(3-chlorophenyl)-6-pentyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83251394
5-(3-chlorophenyl)-6-(2-methylcyclopentyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83264030
2-(3-chlorophenyl)-3-(2-methoxyethyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83246999
6-butan-2-yl-5-(4-propan-2-ylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83225055
3-butan-2-yl-2-(3-chlorophenyl)imidazolidin-4-one
CID 83239586
6-(2-ethoxyethyl)-5-(3-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83237493
2-(3-chlorophenyl)-5-ethyl-3-(3-methylpentan-2-yl)imidazolidin-4-one
CID 83247620
5-(4-fluorophenyl)-6-(4-methoxybutan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83268053

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-6-(1-ethoxypropan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 5-(3-chlorophenyl)-6-(1-ethoxypropan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one (CID 83245613) is 5-(3-chlorophenyl)-6-(1-ethoxypropan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 5-(3-chlorophenyl)-6-(1-ethoxypropan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 5-(3-chlorophenyl)-6-(1-ethoxypropan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one is CCOCC(C)N1C(=O)C2(CC2)NC1c1cccc(Cl)c1.
What is the InChIKey of 5-(3-chlorophenyl)-6-(1-ethoxypropan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is RBVHWAWNZOTBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c1-3-21-10-11(2)19-14(12-5-4-6-13(17)9-12)18-16(7-8-16)15(19)20/h4-6,9,11,14,18H,3,7-8,10H2,1-2H3.
What are the key properties of 5-(3-chlorophenyl)-6-(1-ethoxypropan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one?
5-(3-chlorophenyl)-6-(1-ethoxypropan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 308.81 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-6-(1-ethoxypropan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83245613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).