N-cyclopentyl-2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-methylacetamide

C16H22N2O3 — CID 42923084

IUPACN-cyclopentyl-2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-methylacetamide
SMILESCN(C(=O)CN1C(=O)C2CC=CCC2C1=O)C1CCCC1
InChIInChI=1S/C16H22N2O3/c1-17(11-6-2-3-7-11)14(19)10-18-15(20)12-8-4-5-9-13(12)16(18)21/h4-5,11-13H,2-3,6-10H2,1H3
InChIKeyCETJSKCIXCFXBV-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.34
Rot. Bonds3

About N-cyclopentyl-2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-methylacetamide

N-cyclopentyl-2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-methylacetamide (PubChem CID 42923084) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-cyclopentyl-2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-methylacetamide
PubChem CID42923084
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-cyclopentyl-2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-methylacetamide
SMILESCN(C(=O)CN1C(=O)C2CC=CCC2C1=O)C1CCCC1
InChIInChI=1S/C16H22N2O3/c1-17(11-6-2-3-7-11)14(19)10-18-15(20)12-8-4-5-9-13(12)16(18)21/h4-5,11-13H,2-3,6-10H2,1H3
InChIKeyCETJSKCIXCFXBV-UHFFFAOYSA-N
XLogP1.34
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-methylacetamide?
The IUPAC name of N-cyclopentyl-2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-methylacetamide (CID 42923084) is N-cyclopentyl-2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-methylacetamide.
What is the SMILES notation for N-cyclopentyl-2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-methylacetamide?
The canonical SMILES for N-cyclopentyl-2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-methylacetamide is CN(C(=O)CN1C(=O)C2CC=CCC2C1=O)C1CCCC1.
What is the InChIKey of N-cyclopentyl-2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-methylacetamide?
The InChIKey is CETJSKCIXCFXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-17(11-6-2-3-7-11)14(19)10-18-15(20)12-8-4-5-9-13(12)16(18)21/h4-5,11-13H,2-3,6-10H2,1H3.
What are the key properties of N-cyclopentyl-2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-methylacetamide?
N-cyclopentyl-2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-methylacetamide has a molecular weight of 290.36 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-methylacetamide is sourced from PubChem (CID 42923084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).