7-(hydroxymethyl)-2,3-dihydro-1H-quinolin-4-one

C10H11NO2 — CID 130038975

IUPAC7-(hydroxymethyl)-2,3-dihydro-1H-quinolin-4-one
SMILESO=C1CCNc2cc(CO)ccc21
InChIInChI=1S/C10H11NO2/c12-6-7-1-2-8-9(5-7)11-4-3-10(8)13/h1-2,5,11-12H,3-4,6H2
InChIKeyVMHSBHLVYJWRHZ-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.18
Rot. Bonds1

About 7-(hydroxymethyl)-2,3-dihydro-1H-quinolin-4-one

7-(hydroxymethyl)-2,3-dihydro-1H-quinolin-4-one (PubChem CID 130038975) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 7-(hydroxymethyl)-2,3-dihydro-1H-quinolin-4-one.

Molecular Properties

Compound Name7-(hydroxymethyl)-2,3-dihydro-1H-quinolin-4-one
PubChem CID130038975
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name7-(hydroxymethyl)-2,3-dihydro-1H-quinolin-4-one
SMILESO=C1CCNc2cc(CO)ccc21
InChIInChI=1S/C10H11NO2/c12-6-7-1-2-8-9(5-7)11-4-3-10(8)13/h1-2,5,11-12H,3-4,6H2
InChIKeyVMHSBHLVYJWRHZ-UHFFFAOYSA-N
XLogP1.18
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(hydroxymethyl)-2,3-dihydro-1H-quinolin-4-one?
The IUPAC name of 7-(hydroxymethyl)-2,3-dihydro-1H-quinolin-4-one (CID 130038975) is 7-(hydroxymethyl)-2,3-dihydro-1H-quinolin-4-one.
What is the SMILES notation for 7-(hydroxymethyl)-2,3-dihydro-1H-quinolin-4-one?
The canonical SMILES for 7-(hydroxymethyl)-2,3-dihydro-1H-quinolin-4-one is O=C1CCNc2cc(CO)ccc21.
What is the InChIKey of 7-(hydroxymethyl)-2,3-dihydro-1H-quinolin-4-one?
The InChIKey is VMHSBHLVYJWRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c12-6-7-1-2-8-9(5-7)11-4-3-10(8)13/h1-2,5,11-12H,3-4,6H2.
What are the key properties of 7-(hydroxymethyl)-2,3-dihydro-1H-quinolin-4-one?
7-(hydroxymethyl)-2,3-dihydro-1H-quinolin-4-one has a molecular weight of 177.20 g/mol, XLogP of 1.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(hydroxymethyl)-2,3-dihydro-1H-quinolin-4-one is sourced from PubChem (CID 130038975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).