2-[1,3-dioxo-4,6-bis(prop-1-enyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl]-N-(2-hydroxyethyl)acetamide

C17H24N2O4 — CID 158660630

IUPAC2-[1,3-dioxo-4,6-bis(prop-1-enyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl]-N-(2-hydroxyethyl)acetamide
SMILESCC=CC1CC(C=CC)C2C(=O)N(CC(=O)NCCO)C(=O)C12
InChIInChI=1S/C17H24N2O4/c1-3-5-11-9-12(6-4-2)15-14(11)16(22)19(17(15)23)10-13(21)18-7-8-20/h3-6,11-12,14-15,20H,7-10H2,1-2H3,(H,18,21)
InChIKeyICSCZSKMPMJKSC-UHFFFAOYSA-N
MW320.39 g/mol
LogP0.48
Rot. Bonds6

About 2-[1,3-dioxo-4,6-bis(prop-1-enyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl]-N-(2-hydroxyethyl)acetamide

2-[1,3-dioxo-4,6-bis(prop-1-enyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl]-N-(2-hydroxyethyl)acetamide (PubChem CID 158660630) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-[1,3-dioxo-4,6-bis(prop-1-enyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl]-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-[1,3-dioxo-4,6-bis(prop-1-enyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl]-N-(2-hydroxyethyl)acetamide
PubChem CID158660630
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name2-[1,3-dioxo-4,6-bis(prop-1-enyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl]-N-(2-hydroxyethyl)acetamide
SMILESCC=CC1CC(C=CC)C2C(=O)N(CC(=O)NCCO)C(=O)C12
InChIInChI=1S/C17H24N2O4/c1-3-5-11-9-12(6-4-2)15-14(11)16(22)19(17(15)23)10-13(21)18-7-8-20/h3-6,11-12,14-15,20H,7-10H2,1-2H3,(H,18,21)
InChIKeyICSCZSKMPMJKSC-UHFFFAOYSA-N
XLogP0.48
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[1,3-dioxo-4,6-bis(prop-1-enyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl]methyl]-4,6-bis(prop-1-enyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 157315258
2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
CID 51153684
2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(3-methylbutyl)acetamide
CID 98307452
N-butyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetamide
CID 47099534
2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(2-trimethylsilylethyl)acetamide
CID 102562408
2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(2-methoxyethyl)acetamide
CID 47097554
2-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(2-methylpropyl)acetamide
CID 98869412
2-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-[2-(methylamino)ethyl]acetamide
CID 118201010
N-(2-hydroxyethyl)-2-(4-methyl-2-oxopyrrolidin-1-yl)acetamide
CID 63100713
N-(2-hydroxyethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 90191256
2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl]-N-ethylacetamide
CID 98304275
(2R)-2-[[2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetyl]amino]propanoic acid
CID 98147880

Frequently Asked Questions

What is the IUPAC name of 2-[1,3-dioxo-4,6-bis(prop-1-enyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl]-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-[1,3-dioxo-4,6-bis(prop-1-enyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl]-N-(2-hydroxyethyl)acetamide (CID 158660630) is 2-[1,3-dioxo-4,6-bis(prop-1-enyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl]-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-[1,3-dioxo-4,6-bis(prop-1-enyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl]-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-[1,3-dioxo-4,6-bis(prop-1-enyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl]-N-(2-hydroxyethyl)acetamide is CC=CC1CC(C=CC)C2C(=O)N(CC(=O)NCCO)C(=O)C12.
What is the InChIKey of 2-[1,3-dioxo-4,6-bis(prop-1-enyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl]-N-(2-hydroxyethyl)acetamide?
The InChIKey is ICSCZSKMPMJKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-3-5-11-9-12(6-4-2)15-14(11)16(22)19(17(15)23)10-13(21)18-7-8-20/h3-6,11-12,14-15,20H,7-10H2,1-2H3,(H,18,21).
What are the key properties of 2-[1,3-dioxo-4,6-bis(prop-1-enyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl]-N-(2-hydroxyethyl)acetamide?
2-[1,3-dioxo-4,6-bis(prop-1-enyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl]-N-(2-hydroxyethyl)acetamide has a molecular weight of 320.39 g/mol, XLogP of 0.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,3-dioxo-4,6-bis(prop-1-enyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl]-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 158660630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).