N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)propanamide

C11H15N3O2 — CID 163761359

IUPACN-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)propanamide
SMILESCCC(=O)NC1CCc2n[nH]c(=O)cc2C1
InChIInChI=1S/C11H15N3O2/c1-2-10(15)12-8-3-4-9-7(5-8)6-11(16)14-13-9/h6,8H,2-5H2,1H3,(H,12,15)(H,14,16)
InChIKeyLYLLFLYPBAGYIZ-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.15
Rot. Bonds2

About N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)propanamide

N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)propanamide (PubChem CID 163761359) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)propanamide.

Molecular Properties

Compound NameN-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)propanamide
PubChem CID163761359
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC NameN-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)propanamide
SMILESCCC(=O)NC1CCc2n[nH]c(=O)cc2C1
InChIInChI=1S/C11H15N3O2/c1-2-10(15)12-8-3-4-9-7(5-8)6-11(16)14-13-9/h6,8H,2-5H2,1H3,(H,12,15)(H,14,16)
InChIKeyLYLLFLYPBAGYIZ-UHFFFAOYSA-N
XLogP0.15
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)propanamide?
The IUPAC name of N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)propanamide (CID 163761359) is N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)propanamide.
What is the SMILES notation for N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)propanamide?
The canonical SMILES for N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)propanamide is CCC(=O)NC1CCc2n[nH]c(=O)cc2C1.
What is the InChIKey of N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)propanamide?
The InChIKey is LYLLFLYPBAGYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-2-10(15)12-8-3-4-9-7(5-8)6-11(16)14-13-9/h6,8H,2-5H2,1H3,(H,12,15)(H,14,16).
What are the key properties of N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)propanamide?
N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)propanamide has a molecular weight of 221.26 g/mol, XLogP of 0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl)propanamide is sourced from PubChem (CID 163761359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).