6-amino-1-(cyclopropylmethyl)-5,6,7,8-tetrahydroquinolin-2-one

C13H18N2O — CID 118738729

IUPAC6-amino-1-(cyclopropylmethyl)-5,6,7,8-tetrahydroquinolin-2-one
SMILESNC1CCc2c(ccc(=O)n2CC2CC2)C1
InChIInChI=1S/C13H18N2O/c14-11-4-5-12-10(7-11)3-6-13(16)15(12)8-9-1-2-9/h3,6,9,11H,1-2,4-5,7-8,14H2
InChIKeyZTJNNRMCMJKKGE-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.07
Rot. Bonds2

About 6-amino-1-(cyclopropylmethyl)-5,6,7,8-tetrahydroquinolin-2-one

6-amino-1-(cyclopropylmethyl)-5,6,7,8-tetrahydroquinolin-2-one (PubChem CID 118738729) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 6-amino-1-(cyclopropylmethyl)-5,6,7,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name6-amino-1-(cyclopropylmethyl)-5,6,7,8-tetrahydroquinolin-2-one
PubChem CID118738729
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name6-amino-1-(cyclopropylmethyl)-5,6,7,8-tetrahydroquinolin-2-one
SMILESNC1CCc2c(ccc(=O)n2CC2CC2)C1
InChIInChI=1S/C13H18N2O/c14-11-4-5-12-10(7-11)3-6-13(16)15(12)8-9-1-2-9/h3,6,9,11H,1-2,4-5,7-8,14H2
InChIKeyZTJNNRMCMJKKGE-UHFFFAOYSA-N
XLogP1.07
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(cyclopropylmethyl)-5,6,7,8-tetrahydroquinolin-2-one?
The IUPAC name of 6-amino-1-(cyclopropylmethyl)-5,6,7,8-tetrahydroquinolin-2-one (CID 118738729) is 6-amino-1-(cyclopropylmethyl)-5,6,7,8-tetrahydroquinolin-2-one.
What is the SMILES notation for 6-amino-1-(cyclopropylmethyl)-5,6,7,8-tetrahydroquinolin-2-one?
The canonical SMILES for 6-amino-1-(cyclopropylmethyl)-5,6,7,8-tetrahydroquinolin-2-one is NC1CCc2c(ccc(=O)n2CC2CC2)C1.
What is the InChIKey of 6-amino-1-(cyclopropylmethyl)-5,6,7,8-tetrahydroquinolin-2-one?
The InChIKey is ZTJNNRMCMJKKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c14-11-4-5-12-10(7-11)3-6-13(16)15(12)8-9-1-2-9/h3,6,9,11H,1-2,4-5,7-8,14H2.
What are the key properties of 6-amino-1-(cyclopropylmethyl)-5,6,7,8-tetrahydroquinolin-2-one?
6-amino-1-(cyclopropylmethyl)-5,6,7,8-tetrahydroquinolin-2-one has a molecular weight of 218.30 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(cyclopropylmethyl)-5,6,7,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 118738729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).