1-[(2R)-2-hydroxypropyl]-5-propylazepan-2-one

C12H23NO2 — CID 103935393

IUPAC1-[(2R)-2-hydroxypropyl]-5-propylazepan-2-one
SMILESCCCC1CCC(=O)N(C[C@@H](C)O)CC1
InChIInChI=1S/C12H23NO2/c1-3-4-11-5-6-12(15)13(8-7-11)9-10(2)14/h10-11,14H,3-9H2,1-2H3/t10-,11?/m1/s1
InChIKeyIQWLMZACINXFBE-NFJWQWPMSA-N
MW213.32 g/mol
LogP1.80
Rot. Bonds4

About 1-[(2R)-2-hydroxypropyl]-5-propylazepan-2-one

1-[(2R)-2-hydroxypropyl]-5-propylazepan-2-one (PubChem CID 103935393) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-[(2R)-2-hydroxypropyl]-5-propylazepan-2-one.

Molecular Properties

Compound Name1-[(2R)-2-hydroxypropyl]-5-propylazepan-2-one
PubChem CID103935393
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name1-[(2R)-2-hydroxypropyl]-5-propylazepan-2-one
SMILESCCCC1CCC(=O)N(C[C@@H](C)O)CC1
InChIInChI=1S/C12H23NO2/c1-3-4-11-5-6-12(15)13(8-7-11)9-10(2)14/h10-11,14H,3-9H2,1-2H3/t10-,11?/m1/s1
InChIKeyIQWLMZACINXFBE-NFJWQWPMSA-N
XLogP1.80
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-ethyl-1-[(2R)-2-hydroxypropyl]azepan-2-one
CID 103935391
1-(2-hydroxy-3-methoxypropyl)-5-propylazepan-2-one
CID 113237956
1-(2-cyclohexyl-2-hydroxyethyl)-5-propylazepan-2-one
CID 104753272
1-(3-hydroxybutan-2-yl)-5-propylazepan-2-one
CID 78992720
1-[3-methoxy-2-(propylamino)propyl]-5-propylazepan-2-one
CID 107506266
1-[(2R)-2-aminopropyl]-5-ethylazepan-2-one
CID 103934825
1-[2-(methylamino)-2-(oxolan-3-yl)ethyl]-5-propylazepan-2-one
CID 104747771
1-(3-methylsulfanylpropyl)-5-propylazepan-2-one
CID 103857956
5-propyl-1-[2-(propylaminomethyl)prop-2-enyl]azepan-2-one
CID 103072526
1-[2-[(tert-butylamino)methyl]prop-2-enyl]-5-propylazepan-2-one
CID 103072525
1-[(2R)-2-hydroxypropyl]azocan-2-one
CID 103935311
1-[(2R)-2-hydroxypropyl]-5,5-dimethylazepan-2-one
CID 103935407

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-hydroxypropyl]-5-propylazepan-2-one?
The IUPAC name of 1-[(2R)-2-hydroxypropyl]-5-propylazepan-2-one (CID 103935393) is 1-[(2R)-2-hydroxypropyl]-5-propylazepan-2-one.
What is the SMILES notation for 1-[(2R)-2-hydroxypropyl]-5-propylazepan-2-one?
The canonical SMILES for 1-[(2R)-2-hydroxypropyl]-5-propylazepan-2-one is CCCC1CCC(=O)N(C[C@@H](C)O)CC1.
What is the InChIKey of 1-[(2R)-2-hydroxypropyl]-5-propylazepan-2-one?
The InChIKey is IQWLMZACINXFBE-NFJWQWPMSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-4-11-5-6-12(15)13(8-7-11)9-10(2)14/h10-11,14H,3-9H2,1-2H3/t10-,11?/m1/s1.
What are the key properties of 1-[(2R)-2-hydroxypropyl]-5-propylazepan-2-one?
1-[(2R)-2-hydroxypropyl]-5-propylazepan-2-one has a molecular weight of 213.32 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-hydroxypropyl]-5-propylazepan-2-one is sourced from PubChem (CID 103935393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).