(2R)-1-(azocan-1-yl)-2-hydroxypropan-1-one

C10H19NO2 — CID 130736139

IUPAC(2R)-1-(azocan-1-yl)-2-hydroxypropan-1-one
SMILESC[C@@H](O)C(=O)N1CCCCCCC1
InChIInChI=1S/C10H19NO2/c1-9(12)10(13)11-7-5-3-2-4-6-8-11/h9,12H,2-8H2,1H3/t9-/m1/s1
InChIKeyTYSWPSVKAVYFGW-SECBINFHSA-N
MW185.27 g/mol
LogP1.16
Rot. Bonds1

About (2R)-1-(azocan-1-yl)-2-hydroxypropan-1-one

(2R)-1-(azocan-1-yl)-2-hydroxypropan-1-one (PubChem CID 130736139) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (2R)-1-(azocan-1-yl)-2-hydroxypropan-1-one.

Molecular Properties

Compound Name(2R)-1-(azocan-1-yl)-2-hydroxypropan-1-one
PubChem CID130736139
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(2R)-1-(azocan-1-yl)-2-hydroxypropan-1-one
SMILESC[C@@H](O)C(=O)N1CCCCCCC1
InChIInChI=1S/C10H19NO2/c1-9(12)10(13)11-7-5-3-2-4-6-8-11/h9,12H,2-8H2,1H3/t9-/m1/s1
InChIKeyTYSWPSVKAVYFGW-SECBINFHSA-N
XLogP1.16
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(azocan-1-yl)-2-hydroxypropan-1-one?
The IUPAC name of (2R)-1-(azocan-1-yl)-2-hydroxypropan-1-one (CID 130736139) is (2R)-1-(azocan-1-yl)-2-hydroxypropan-1-one.
What is the SMILES notation for (2R)-1-(azocan-1-yl)-2-hydroxypropan-1-one?
The canonical SMILES for (2R)-1-(azocan-1-yl)-2-hydroxypropan-1-one is C[C@@H](O)C(=O)N1CCCCCCC1.
What is the InChIKey of (2R)-1-(azocan-1-yl)-2-hydroxypropan-1-one?
The InChIKey is TYSWPSVKAVYFGW-SECBINFHSA-N. The full InChI is InChI=1S/C10H19NO2/c1-9(12)10(13)11-7-5-3-2-4-6-8-11/h9,12H,2-8H2,1H3/t9-/m1/s1.
What are the key properties of (2R)-1-(azocan-1-yl)-2-hydroxypropan-1-one?
(2R)-1-(azocan-1-yl)-2-hydroxypropan-1-one has a molecular weight of 185.27 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(azocan-1-yl)-2-hydroxypropan-1-one is sourced from PubChem (CID 130736139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).