3-[(cyclopropylamino)methyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one

C13H18N2O — CID 82522704

IUPAC3-[(cyclopropylamino)methyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESO=c1[nH]c2c(cc1CNC1CC1)CCCC2
InChIInChI=1S/C13H18N2O/c16-13-10(8-14-11-5-6-11)7-9-3-1-2-4-12(9)15-13/h7,11,14H,1-6,8H2,(H,15,16)
InChIKeyNZZMSIPPLMHTHE-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.51
Rot. Bonds3

About 3-[(cyclopropylamino)methyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one

3-[(cyclopropylamino)methyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 82522704) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-[(cyclopropylamino)methyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(cyclopropylamino)methyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one
PubChem CID82522704
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name3-[(cyclopropylamino)methyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESO=c1[nH]c2c(cc1CNC1CC1)CCCC2
InChIInChI=1S/C13H18N2O/c16-13-10(8-14-11-5-6-11)7-9-3-1-2-4-12(9)15-13/h7,11,14H,1-6,8H2,(H,15,16)
InChIKeyNZZMSIPPLMHTHE-UHFFFAOYSA-N
XLogP1.51
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(cyclopropylamino)methyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The IUPAC name of 3-[(cyclopropylamino)methyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 82522704) is 3-[(cyclopropylamino)methyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for 3-[(cyclopropylamino)methyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for 3-[(cyclopropylamino)methyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one is O=c1[nH]c2c(cc1CNC1CC1)CCCC2.
What is the InChIKey of 3-[(cyclopropylamino)methyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The InChIKey is NZZMSIPPLMHTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c16-13-10(8-14-11-5-6-11)7-9-3-1-2-4-12(9)15-13/h7,11,14H,1-6,8H2,(H,15,16).
What are the key properties of 3-[(cyclopropylamino)methyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
3-[(cyclopropylamino)methyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one has a molecular weight of 218.30 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cyclopropylamino)methyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 82522704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).