N-(1,8a-dihydroquinolin-3-yl)-2-aminoacetamide

C11H13N3O — CID 89071543

IUPACN-(1,8a-dihydroquinolin-3-yl)-2-aminoacetamide
SMILESNCC(=O)NC1=CNC2C=CC=CC2=C1
InChIInChI=1S/C11H13N3O/c12-6-11(15)14-9-5-8-3-1-2-4-10(8)13-7-9/h1-5,7,10,13H,6,12H2,(H,14,15)
InChIKeyCZKPOJJGIQHXIN-UHFFFAOYSA-N
MW203.24 g/mol
LogP-0.07
Rot. Bonds2

About N-(1,8a-dihydroquinolin-3-yl)-2-aminoacetamide

N-(1,8a-dihydroquinolin-3-yl)-2-aminoacetamide (PubChem CID 89071543) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is N-(1,8a-dihydroquinolin-3-yl)-2-aminoacetamide.

Molecular Properties

Compound NameN-(1,8a-dihydroquinolin-3-yl)-2-aminoacetamide
PubChem CID89071543
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC NameN-(1,8a-dihydroquinolin-3-yl)-2-aminoacetamide
SMILESNCC(=O)NC1=CNC2C=CC=CC2=C1
InChIInChI=1S/C11H13N3O/c12-6-11(15)14-9-5-8-3-1-2-4-10(8)13-7-9/h1-5,7,10,13H,6,12H2,(H,14,15)
InChIKeyCZKPOJJGIQHXIN-UHFFFAOYSA-N
XLogP-0.07
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,8a-dihydroquinolin-3-yl)-2-aminoacetamide?
The IUPAC name of N-(1,8a-dihydroquinolin-3-yl)-2-aminoacetamide (CID 89071543) is N-(1,8a-dihydroquinolin-3-yl)-2-aminoacetamide.
What is the SMILES notation for N-(1,8a-dihydroquinolin-3-yl)-2-aminoacetamide?
The canonical SMILES for N-(1,8a-dihydroquinolin-3-yl)-2-aminoacetamide is NCC(=O)NC1=CNC2C=CC=CC2=C1.
What is the InChIKey of N-(1,8a-dihydroquinolin-3-yl)-2-aminoacetamide?
The InChIKey is CZKPOJJGIQHXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c12-6-11(15)14-9-5-8-3-1-2-4-10(8)13-7-9/h1-5,7,10,13H,6,12H2,(H,14,15).
What are the key properties of N-(1,8a-dihydroquinolin-3-yl)-2-aminoacetamide?
N-(1,8a-dihydroquinolin-3-yl)-2-aminoacetamide has a molecular weight of 203.24 g/mol, XLogP of -0.07, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,8a-dihydroquinolin-3-yl)-2-aminoacetamide is sourced from PubChem (CID 89071543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).