1-[(1S,2S)-2-hydroxycyclopentyl]-3-methylquinoxalin-2-one

C14H16N2O2 — CID 102735140

IUPAC1-[(1S,2S)-2-hydroxycyclopentyl]-3-methylquinoxalin-2-one
SMILESCc1nc2ccccc2n([C@H]2CCC[C@@H]2O)c1=O
InChIInChI=1S/C14H16N2O2/c1-9-14(18)16(12-7-4-8-13(12)17)11-6-3-2-5-10(11)15-9/h2-3,5-6,12-13,17H,4,7-8H2,1H3/t12-,13-/m0/s1
InChIKeyCKPGLVLOJXWZAH-STQMWFEESA-N
MW244.29 g/mol
LogP1.79
Rot. Bonds1

About 1-[(1S,2S)-2-hydroxycyclopentyl]-3-methylquinoxalin-2-one

1-[(1S,2S)-2-hydroxycyclopentyl]-3-methylquinoxalin-2-one (PubChem CID 102735140) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-[(1S,2S)-2-hydroxycyclopentyl]-3-methylquinoxalin-2-one.

Molecular Properties

Compound Name1-[(1S,2S)-2-hydroxycyclopentyl]-3-methylquinoxalin-2-one
PubChem CID102735140
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name1-[(1S,2S)-2-hydroxycyclopentyl]-3-methylquinoxalin-2-one
SMILESCc1nc2ccccc2n([C@H]2CCC[C@@H]2O)c1=O
InChIInChI=1S/C14H16N2O2/c1-9-14(18)16(12-7-4-8-13(12)17)11-6-3-2-5-10(11)15-9/h2-3,5-6,12-13,17H,4,7-8H2,1H3/t12-,13-/m0/s1
InChIKeyCKPGLVLOJXWZAH-STQMWFEESA-N
XLogP1.79
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2S)-2-hydroxycyclopentyl]-3-methylquinoxalin-2-one?
The IUPAC name of 1-[(1S,2S)-2-hydroxycyclopentyl]-3-methylquinoxalin-2-one (CID 102735140) is 1-[(1S,2S)-2-hydroxycyclopentyl]-3-methylquinoxalin-2-one.
What is the SMILES notation for 1-[(1S,2S)-2-hydroxycyclopentyl]-3-methylquinoxalin-2-one?
The canonical SMILES for 1-[(1S,2S)-2-hydroxycyclopentyl]-3-methylquinoxalin-2-one is Cc1nc2ccccc2n([C@H]2CCC[C@@H]2O)c1=O.
What is the InChIKey of 1-[(1S,2S)-2-hydroxycyclopentyl]-3-methylquinoxalin-2-one?
The InChIKey is CKPGLVLOJXWZAH-STQMWFEESA-N. The full InChI is InChI=1S/C14H16N2O2/c1-9-14(18)16(12-7-4-8-13(12)17)11-6-3-2-5-10(11)15-9/h2-3,5-6,12-13,17H,4,7-8H2,1H3/t12-,13-/m0/s1.
What are the key properties of 1-[(1S,2S)-2-hydroxycyclopentyl]-3-methylquinoxalin-2-one?
1-[(1S,2S)-2-hydroxycyclopentyl]-3-methylquinoxalin-2-one has a molecular weight of 244.29 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2S)-2-hydroxycyclopentyl]-3-methylquinoxalin-2-one is sourced from PubChem (CID 102735140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).