5-[(2-hydroxycyclopentyl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one

C15H22N2O2 — CID 81107715

IUPAC5-[(2-hydroxycyclopentyl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESO=c1ccc2c([nH]1)CCCC2NCC1CCCC1O
InChIInChI=1S/C15H22N2O2/c18-14-6-1-3-10(14)9-16-12-4-2-5-13-11(12)7-8-15(19)17-13/h7-8,10,12,14,16,18H,1-6,9H2,(H,17,19)
InChIKeyMZOIKEXBHZEMSF-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.50
Rot. Bonds3

About 5-[(2-hydroxycyclopentyl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one

5-[(2-hydroxycyclopentyl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 81107715) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 5-[(2-hydroxycyclopentyl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5-[(2-hydroxycyclopentyl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
PubChem CID81107715
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name5-[(2-hydroxycyclopentyl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESO=c1ccc2c([nH]1)CCCC2NCC1CCCC1O
InChIInChI=1S/C15H22N2O2/c18-14-6-1-3-10(14)9-16-12-4-2-5-13-11(12)7-8-15(19)17-13/h7-8,10,12,14,16,18H,1-6,9H2,(H,17,19)
InChIKeyMZOIKEXBHZEMSF-UHFFFAOYSA-N
XLogP1.50
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-hydroxycyclopentyl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The IUPAC name of 5-[(2-hydroxycyclopentyl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 81107715) is 5-[(2-hydroxycyclopentyl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for 5-[(2-hydroxycyclopentyl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for 5-[(2-hydroxycyclopentyl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one is O=c1ccc2c([nH]1)CCCC2NCC1CCCC1O.
What is the InChIKey of 5-[(2-hydroxycyclopentyl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The InChIKey is MZOIKEXBHZEMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c18-14-6-1-3-10(14)9-16-12-4-2-5-13-11(12)7-8-15(19)17-13/h7-8,10,12,14,16,18H,1-6,9H2,(H,17,19).
What are the key properties of 5-[(2-hydroxycyclopentyl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
5-[(2-hydroxycyclopentyl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one has a molecular weight of 262.35 g/mol, XLogP of 1.50, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-hydroxycyclopentyl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 81107715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).