5-(1-hydroxycyclopropyl)-3,4-dihydro-1H-quinolin-2-one

C12H13NO2 — CID 117291601

IUPAC5-(1-hydroxycyclopropyl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2c(cccc2C2(O)CC2)N1
InChIInChI=1S/C12H13NO2/c14-11-5-4-8-9(12(15)6-7-12)2-1-3-10(8)13-11/h1-3,15H,4-7H2,(H,13,14)
InChIKeyGIHVZASZKVAQLG-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.55
Rot. Bonds1

About 5-(1-hydroxycyclopropyl)-3,4-dihydro-1H-quinolin-2-one

5-(1-hydroxycyclopropyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 117291601) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 5-(1-hydroxycyclopropyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5-(1-hydroxycyclopropyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID117291601
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name5-(1-hydroxycyclopropyl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2c(cccc2C2(O)CC2)N1
InChIInChI=1S/C12H13NO2/c14-11-5-4-8-9(12(15)6-7-12)2-1-3-10(8)13-11/h1-3,15H,4-7H2,(H,13,14)
InChIKeyGIHVZASZKVAQLG-UHFFFAOYSA-N
XLogP1.55
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1-hydroxycyclopropyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 5-(1-hydroxycyclopropyl)-3,4-dihydro-1H-quinolin-2-one (CID 117291601) is 5-(1-hydroxycyclopropyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 5-(1-hydroxycyclopropyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 5-(1-hydroxycyclopropyl)-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2c(cccc2C2(O)CC2)N1.
What is the InChIKey of 5-(1-hydroxycyclopropyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is GIHVZASZKVAQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c14-11-5-4-8-9(12(15)6-7-12)2-1-3-10(8)13-11/h1-3,15H,4-7H2,(H,13,14).
What are the key properties of 5-(1-hydroxycyclopropyl)-3,4-dihydro-1H-quinolin-2-one?
5-(1-hydroxycyclopropyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 203.24 g/mol, XLogP of 1.55, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-hydroxycyclopropyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 117291601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).