1-[(2R)-2-hydroxypropyl]azocan-2-one

C10H19NO2 — CID 103935311

IUPAC1-[(2R)-2-hydroxypropyl]azocan-2-one
SMILESC[C@@H](O)CN1CCCCCCC1=O
InChIInChI=1S/C10H19NO2/c1-9(12)8-11-7-5-3-2-4-6-10(11)13/h9,12H,2-8H2,1H3/t9-/m1/s1
InChIKeyRVQJTUQVDLYWCL-SECBINFHSA-N
MW185.27 g/mol
LogP1.16
Rot. Bonds2

About 1-[(2R)-2-hydroxypropyl]azocan-2-one

1-[(2R)-2-hydroxypropyl]azocan-2-one (PubChem CID 103935311) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-[(2R)-2-hydroxypropyl]azocan-2-one.

Molecular Properties

Compound Name1-[(2R)-2-hydroxypropyl]azocan-2-one
PubChem CID103935311
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name1-[(2R)-2-hydroxypropyl]azocan-2-one
SMILESC[C@@H](O)CN1CCCCCCC1=O
InChIInChI=1S/C10H19NO2/c1-9(12)8-11-7-5-3-2-4-6-10(11)13/h9,12H,2-8H2,1H3/t9-/m1/s1
InChIKeyRVQJTUQVDLYWCL-SECBINFHSA-N
XLogP1.16
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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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Related Compounds

1-[2-hydroxy-2-[1-hydroxy-2-(2-oxoazepan-1-yl)ethoxy]ethyl]azepan-2-one
CID 165374398
1-[2-hydroxy-3-(methylamino)propyl]azocan-2-one
CID 43187981
2-methyl-3-(2-oxoazocan-1-yl)propanethioamide
CID 43175041
1-(3-ethyl-2-hydroxypentyl)piperidin-2-one
CID 106288701
1-(3-amino-2-methylpropyl)piperidin-2-one
CID 43367864
1-(3-chloro-2-hydroxypropyl)piperidin-2-one
CID 112560133
1-(2-cyclopentyl-2-hydroxyethyl)azepan-2-one
CID 104753129
3-methyl-4-(2-oxopiperidin-1-yl)butanoic acid
CID 79006816
1-[3-(tert-butylamino)-2-hydroxypropyl]azepan-2-one
CID 115475535
1-(chloromethyl)azonan-2-one
CID 23348579
1-[2-(bromomethyl)-3-methylbutyl]piperidin-2-one
CID 65012384
1-[(2R)-2-hydroxypropyl]-5,5-dimethylazepan-2-one
CID 103935407

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-hydroxypropyl]azocan-2-one?
The IUPAC name of 1-[(2R)-2-hydroxypropyl]azocan-2-one (CID 103935311) is 1-[(2R)-2-hydroxypropyl]azocan-2-one.
What is the SMILES notation for 1-[(2R)-2-hydroxypropyl]azocan-2-one?
The canonical SMILES for 1-[(2R)-2-hydroxypropyl]azocan-2-one is C[C@@H](O)CN1CCCCCCC1=O.
What is the InChIKey of 1-[(2R)-2-hydroxypropyl]azocan-2-one?
The InChIKey is RVQJTUQVDLYWCL-SECBINFHSA-N. The full InChI is InChI=1S/C10H19NO2/c1-9(12)8-11-7-5-3-2-4-6-10(11)13/h9,12H,2-8H2,1H3/t9-/m1/s1.
What are the key properties of 1-[(2R)-2-hydroxypropyl]azocan-2-one?
1-[(2R)-2-hydroxypropyl]azocan-2-one has a molecular weight of 185.27 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-hydroxypropyl]azocan-2-one is sourced from PubChem (CID 103935311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).