(5R,6S)-5-hydroxy-6-(hydroxymethyl)azocan-2-one

C8H15NO3 — CID 131201474

IUPAC(5R,6S)-5-hydroxy-6-(hydroxymethyl)azocan-2-one
SMILESO=C1CC[C@@H](O)[C@H](CO)CCN1
InChIInChI=1S/C8H15NO3/c10-5-6-3-4-9-8(12)2-1-7(6)11/h6-7,10-11H,1-5H2,(H,9,12)/t6-,7+/m0/s1
InChIKeyUJWNDIXCJZIPRO-NKWVEPMBSA-N
MW173.21 g/mol
LogP-0.74
Rot. Bonds1

About (5R,6S)-5-hydroxy-6-(hydroxymethyl)azocan-2-one

(5R,6S)-5-hydroxy-6-(hydroxymethyl)azocan-2-one (PubChem CID 131201474) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is (5R,6S)-5-hydroxy-6-(hydroxymethyl)azocan-2-one.

Molecular Properties

Compound Name(5R,6S)-5-hydroxy-6-(hydroxymethyl)azocan-2-one
PubChem CID131201474
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name(5R,6S)-5-hydroxy-6-(hydroxymethyl)azocan-2-one
SMILESO=C1CC[C@@H](O)[C@H](CO)CCN1
InChIInChI=1S/C8H15NO3/c10-5-6-3-4-9-8(12)2-1-7(6)11/h6-7,10-11H,1-5H2,(H,9,12)/t6-,7+/m0/s1
InChIKeyUJWNDIXCJZIPRO-NKWVEPMBSA-N
XLogP-0.74
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(hydroxymethyl)azepan-2-one
CID 75481334
5-hydroxyazepan-2-one
CID 14609266
5-sulfanylazepan-2-one
CID 87332653
(5S)-5-methylazepan-2-one
CID 51419001
(4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-2-one
CID 89395311
azepan-2-one;cyclohexylmethanol
CID 175528099
(7-oxoazepan-4-yl)methanesulfonamide
CID 130621934
4-(2-hydroxyethyl)piperidin-2-one
CID 70203271
methane;5-methylazepan-2-one
CID 158920172
[(4R)-2-oxopiperidin-4-yl]azanium
CID 27282256
(5S)-5-hydroxypiperidin-2-one
CID 10964456
5-aminoazepan-2-one;ethane
CID 142912069

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-5-hydroxy-6-(hydroxymethyl)azocan-2-one?
The IUPAC name of (5R,6S)-5-hydroxy-6-(hydroxymethyl)azocan-2-one (CID 131201474) is (5R,6S)-5-hydroxy-6-(hydroxymethyl)azocan-2-one.
What is the SMILES notation for (5R,6S)-5-hydroxy-6-(hydroxymethyl)azocan-2-one?
The canonical SMILES for (5R,6S)-5-hydroxy-6-(hydroxymethyl)azocan-2-one is O=C1CC[C@@H](O)[C@H](CO)CCN1.
What is the InChIKey of (5R,6S)-5-hydroxy-6-(hydroxymethyl)azocan-2-one?
The InChIKey is UJWNDIXCJZIPRO-NKWVEPMBSA-N. The full InChI is InChI=1S/C8H15NO3/c10-5-6-3-4-9-8(12)2-1-7(6)11/h6-7,10-11H,1-5H2,(H,9,12)/t6-,7+/m0/s1.
What are the key properties of (5R,6S)-5-hydroxy-6-(hydroxymethyl)azocan-2-one?
(5R,6S)-5-hydroxy-6-(hydroxymethyl)azocan-2-one has a molecular weight of 173.21 g/mol, XLogP of -0.74, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-5-hydroxy-6-(hydroxymethyl)azocan-2-one is sourced from PubChem (CID 131201474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).