1-cyclopropylethyl 2-cyclopropyl-1,3-dioxoisoindole-5-carboxylate

C17H17NO4 — CID 75417597

IUPAC1-cyclopropylethyl 2-cyclopropyl-1,3-dioxoisoindole-5-carboxylate
SMILESCC(OC(=O)c1ccc2c(c1)C(=O)N(C1CC1)C2=O)C1CC1
InChIInChI=1S/C17H17NO4/c1-9(10-2-3-10)22-17(21)11-4-7-13-14(8-11)16(20)18(15(13)19)12-5-6-12/h4,7-10,12H,2-3,5-6H2,1H3
InChIKeyPCWNNCXKDJRSEW-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.40
Rot. Bonds4

About 1-cyclopropylethyl 2-cyclopropyl-1,3-dioxoisoindole-5-carboxylate

1-cyclopropylethyl 2-cyclopropyl-1,3-dioxoisoindole-5-carboxylate (PubChem CID 75417597) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is 1-cyclopropylethyl 2-cyclopropyl-1,3-dioxoisoindole-5-carboxylate.

Molecular Properties

Compound Name1-cyclopropylethyl 2-cyclopropyl-1,3-dioxoisoindole-5-carboxylate
PubChem CID75417597
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name1-cyclopropylethyl 2-cyclopropyl-1,3-dioxoisoindole-5-carboxylate
SMILESCC(OC(=O)c1ccc2c(c1)C(=O)N(C1CC1)C2=O)C1CC1
InChIInChI=1S/C17H17NO4/c1-9(10-2-3-10)22-17(21)11-4-7-13-14(8-11)16(20)18(15(13)19)12-5-6-12/h4,7-10,12H,2-3,5-6H2,1H3
InChIKeyPCWNNCXKDJRSEW-UHFFFAOYSA-N
XLogP2.40
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

[(2S)-1-amino-1-oxopropan-2-yl] 2-cyclohexyl-1,3-dioxoisoindole-5-carboxylate
CID 7738739
1-phenylethyl 2-cyclohexyl-1,3-dioxoisoindole-5-carboxylate
CID 16510789
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-cyclohexyl-1,3-dioxoisoindole-5-carboxylate
CID 26005883
[(2S)-1-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl] 2-cyclohexyl-1,3-dioxoisoindole-5-carboxylate
CID 99845348
[1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-cyclohexyl-1,3-dioxoisoindole-5-carboxylate
CID 42899348
[1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 2-cyclohexyl-1,3-dioxoisoindole-5-carboxylate
CID 46623988
[2-[[(2R)-1-methoxypropan-2-yl]amino]-2-oxoethyl] 2-cyclohexyl-1,3-dioxoisoindole-5-carboxylate
CID 51467731
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-cyclohexyl-1,3-dioxoisoindole-5-carboxylate
CID 55392006
[2-(4-methylphenyl)-2-oxoethyl] 2-cyclohexyl-1,3-dioxoisoindole-5-carboxylate
CID 1216638
2-cyclohexyl-1,3-dioxo-N-(3-propan-2-yloxypropyl)isoindole-5-carboxamide
CID 34375747
decyl 2-cyclohexyl-1,3-dioxoisoindole-5-carboxylate
CID 3112633
2-cyclohexyl-N-(2-hydroxypropyl)-1,3-dioxoisoindole-5-carboxamide
CID 78855304

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylethyl 2-cyclopropyl-1,3-dioxoisoindole-5-carboxylate?
The IUPAC name of 1-cyclopropylethyl 2-cyclopropyl-1,3-dioxoisoindole-5-carboxylate (CID 75417597) is 1-cyclopropylethyl 2-cyclopropyl-1,3-dioxoisoindole-5-carboxylate.
What is the SMILES notation for 1-cyclopropylethyl 2-cyclopropyl-1,3-dioxoisoindole-5-carboxylate?
The canonical SMILES for 1-cyclopropylethyl 2-cyclopropyl-1,3-dioxoisoindole-5-carboxylate is CC(OC(=O)c1ccc2c(c1)C(=O)N(C1CC1)C2=O)C1CC1.
What is the InChIKey of 1-cyclopropylethyl 2-cyclopropyl-1,3-dioxoisoindole-5-carboxylate?
The InChIKey is PCWNNCXKDJRSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-9(10-2-3-10)22-17(21)11-4-7-13-14(8-11)16(20)18(15(13)19)12-5-6-12/h4,7-10,12H,2-3,5-6H2,1H3.
What are the key properties of 1-cyclopropylethyl 2-cyclopropyl-1,3-dioxoisoindole-5-carboxylate?
1-cyclopropylethyl 2-cyclopropyl-1,3-dioxoisoindole-5-carboxylate has a molecular weight of 299.33 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylethyl 2-cyclopropyl-1,3-dioxoisoindole-5-carboxylate is sourced from PubChem (CID 75417597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).