CID 123560915

C15H15N2O3- — CID 123560915

IUPAC—
SMILES[CH2-]c1ccc(CC(=O)NCCN2C(=O)C=CC2=O)cc1
InChIInChI=1S/C15H15N2O3/c1-11-2-4-12(5-3-11)10-13(18)16-8-9-17-14(19)6-7-15(17)20/h2-7H,1,8-10H2,(H,16,18)/q-1
InChIKeyLFIGAVALYGORFE-UHFFFAOYSA-N
MW271.30 g/mol
LogP0.45
Rot. Bonds5

About CID 123560915

CID 123560915 (PubChem CID 123560915) has the molecular formula C15H15N2O3- and a molecular weight of 271.30 g/mol.

Molecular Properties

Compound NameCID 123560915
PubChem CID123560915
Molecular FormulaC15H15N2O3-
Molecular Weight271.30 g/mol
Exact Mass271.11
IUPAC Name—
SMILES[CH2-]c1ccc(CC(=O)NCCN2C(=O)C=CC2=O)cc1
InChIInChI=1S/C15H15N2O3/c1-11-2-4-12(5-3-11)10-13(18)16-8-9-17-14(19)6-7-15(17)20/h2-7H,1,8-10H2,(H,16,18)/q-1
InChIKeyLFIGAVALYGORFE-UHFFFAOYSA-N
XLogP0.45
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-2-methylpropanamide
CID 118088116
2-aminooxy-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide
CID 53250845
2-(chloroamino)oxy-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide
CID 88941444
N-(2-aminoethyl)-2-[4-(2,5-dioxopyrrol-1-yl)phenyl]acetamide
CID 155262994
N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-phenylpropanamide;2,2,2-trifluoroacetic acid
CID 175739456
N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-(4-methylphenyl)acetamide
CID 110719140
N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-selenophen-2-ylpropanamide
CID 166156326
2-(4-chlorophenyl)-N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]acetamide
CID 110719097
1-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-[2-(methylamino)ethyl]urea
CID 142400579
N-(2-aminoethyl)-3-(2,5-dioxopyrrol-1-yl)propanamide
CID 51341002
N-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]-2-(4-fluorophenyl)acetamide
CID 113082355
N-[4-(2,5-dioxopyrrol-1-yl)butyl]-4-(4-methylphenyl)butanamide
CID 58473665

Frequently Asked Questions

What is the IUPAC name of CID 123560915?
The IUPAC name of CID 123560915 (CID 123560915) is not available.
What is the SMILES notation for CID 123560915?
The canonical SMILES for CID 123560915 is [CH2-]c1ccc(CC(=O)NCCN2C(=O)C=CC2=O)cc1.
What is the InChIKey of CID 123560915?
The InChIKey is LFIGAVALYGORFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N2O3/c1-11-2-4-12(5-3-11)10-13(18)16-8-9-17-14(19)6-7-15(17)20/h2-7H,1,8-10H2,(H,16,18)/q-1.
What are the key properties of CID 123560915?
CID 123560915 has a molecular weight of 271.30 g/mol, XLogP of 0.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123560915 is sourced from PubChem (CID 123560915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).