2-[(1R)-cyclopent-2-en-1-yl]-N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]acetamide

C17H18N4O4 — CID 94802760

IUPAC2-[(1R)-cyclopent-2-en-1-yl]-N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]acetamide
SMILESO=C(C[C@@H]1C=CCC1)NCC(=O)Nc1cccc2c(=O)[nH][nH]c(=O)c12
InChIInChI=1S/C17H18N4O4/c22-13(8-10-4-1-2-5-10)18-9-14(23)19-12-7-3-6-11-15(12)17(25)21-20-16(11)24/h1,3-4,6-7,10H,2,5,8-9H2,(H,18,22)(H,19,23)(H,20,24)(H,21,25)/t10-/m1/s1
InChIKeyWGDMHALPWQAGDC-SNVBAGLBSA-N
MW342.36 g/mol
LogP0.63
Rot. Bonds5

About 2-[(1R)-cyclopent-2-en-1-yl]-N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]acetamide

2-[(1R)-cyclopent-2-en-1-yl]-N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]acetamide (PubChem CID 94802760) has the molecular formula C17H18N4O4 and a molecular weight of 342.36 g/mol. Its IUPAC name is 2-[(1R)-cyclopent-2-en-1-yl]-N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-[(1R)-cyclopent-2-en-1-yl]-N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]acetamide
PubChem CID94802760
Molecular FormulaC17H18N4O4
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC Name2-[(1R)-cyclopent-2-en-1-yl]-N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]acetamide
SMILESO=C(C[C@@H]1C=CCC1)NCC(=O)Nc1cccc2c(=O)[nH][nH]c(=O)c12
InChIInChI=1S/C17H18N4O4/c22-13(8-10-4-1-2-5-10)18-9-14(23)19-12-7-3-6-11-15(12)17(25)21-20-16(11)24/h1,3-4,6-7,10H,2,5,8-9H2,(H,18,22)(H,19,23)(H,20,24)(H,21,25)/t10-/m1/s1
InChIKeyWGDMHALPWQAGDC-SNVBAGLBSA-N
XLogP0.63
TPSA123.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 50.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-cyclopent-2-en-1-yl]-N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]acetamide?
The IUPAC name of 2-[(1R)-cyclopent-2-en-1-yl]-N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]acetamide (CID 94802760) is 2-[(1R)-cyclopent-2-en-1-yl]-N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-[(1R)-cyclopent-2-en-1-yl]-N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]acetamide?
The canonical SMILES for 2-[(1R)-cyclopent-2-en-1-yl]-N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]acetamide is O=C(C[C@@H]1C=CCC1)NCC(=O)Nc1cccc2c(=O)[nH][nH]c(=O)c12.
What is the InChIKey of 2-[(1R)-cyclopent-2-en-1-yl]-N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]acetamide?
The InChIKey is WGDMHALPWQAGDC-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H18N4O4/c22-13(8-10-4-1-2-5-10)18-9-14(23)19-12-7-3-6-11-15(12)17(25)21-20-16(11)24/h1,3-4,6-7,10H,2,5,8-9H2,(H,18,22)(H,19,23)(H,20,24)(H,21,25)/t10-/m1/s1.
What are the key properties of 2-[(1R)-cyclopent-2-en-1-yl]-N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]acetamide?
2-[(1R)-cyclopent-2-en-1-yl]-N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]acetamide has a molecular weight of 342.36 g/mol, XLogP of 0.63, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-cyclopent-2-en-1-yl]-N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]acetamide is sourced from PubChem (CID 94802760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).