(7R)-7-[(2R)-2-hydroxy-4-phenylbutyl]azepan-2-one

C16H23NO2 — CID 102319337

IUPAC(7R)-7-[(2R)-2-hydroxy-4-phenylbutyl]azepan-2-one
SMILESO=C1CCCC[C@H](C[C@H](O)CCc2ccccc2)N1
InChIInChI=1S/C16H23NO2/c18-15(11-10-13-6-2-1-3-7-13)12-14-8-4-5-9-16(19)17-14/h1-3,6-7,14-15,18H,4-5,8-12H2,(H,17,19)/t14-,15-/m1/s1
InChIKeyHWZONQRKKMMGIJ-HUUCEWRRSA-N
MW261.36 g/mol
LogP2.43
Rot. Bonds5

About (7R)-7-[(2R)-2-hydroxy-4-phenylbutyl]azepan-2-one

(7R)-7-[(2R)-2-hydroxy-4-phenylbutyl]azepan-2-one (PubChem CID 102319337) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is (7R)-7-[(2R)-2-hydroxy-4-phenylbutyl]azepan-2-one.

Molecular Properties

Compound Name(7R)-7-[(2R)-2-hydroxy-4-phenylbutyl]azepan-2-one
PubChem CID102319337
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name(7R)-7-[(2R)-2-hydroxy-4-phenylbutyl]azepan-2-one
SMILESO=C1CCCC[C@H](C[C@H](O)CCc2ccccc2)N1
InChIInChI=1S/C16H23NO2/c18-15(11-10-13-6-2-1-3-7-13)12-14-8-4-5-9-16(19)17-14/h1-3,6-7,14-15,18H,4-5,8-12H2,(H,17,19)/t14-,15-/m1/s1
InChIKeyHWZONQRKKMMGIJ-HUUCEWRRSA-N
XLogP2.43
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 15361902
1,5-diphenylpentan-3-ol;hydrochloride
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(1R,5R)-1-cyclohexyl-7-phenylheptane-1,5-diol
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(5R)-5-benzylpyrrolidin-2-one
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(E)-1-cyclopentyl-5-phenylpent-1-en-3-ol
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(2R)-2-[(2R)-4-phenylbutan-2-yl]cycloheptan-1-one
CID 134922324
N-benzyl-N-cyclobutyl-2-(6-oxopiperidin-2-yl)acetamide
CID 146142215
(2R)-1-iodo-4-phenylbutan-2-ol
CID 142003029
7-benzoylazepan-2-one
CID 70255305
(3aS,7aR)-2-[(2S)-2-hydroxy-4-phenylbutyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 99822118
trans-(2S,3S)-3-hydroxy-2-[(1S)-1-hydroxy-3-phenylpropyl]cyclopentan-1-one
CID 101184919

Frequently Asked Questions

What is the IUPAC name of (7R)-7-[(2R)-2-hydroxy-4-phenylbutyl]azepan-2-one?
The IUPAC name of (7R)-7-[(2R)-2-hydroxy-4-phenylbutyl]azepan-2-one (CID 102319337) is (7R)-7-[(2R)-2-hydroxy-4-phenylbutyl]azepan-2-one.
What is the SMILES notation for (7R)-7-[(2R)-2-hydroxy-4-phenylbutyl]azepan-2-one?
The canonical SMILES for (7R)-7-[(2R)-2-hydroxy-4-phenylbutyl]azepan-2-one is O=C1CCCC[C@H](C[C@H](O)CCc2ccccc2)N1.
What is the InChIKey of (7R)-7-[(2R)-2-hydroxy-4-phenylbutyl]azepan-2-one?
The InChIKey is HWZONQRKKMMGIJ-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H23NO2/c18-15(11-10-13-6-2-1-3-7-13)12-14-8-4-5-9-16(19)17-14/h1-3,6-7,14-15,18H,4-5,8-12H2,(H,17,19)/t14-,15-/m1/s1.
What are the key properties of (7R)-7-[(2R)-2-hydroxy-4-phenylbutyl]azepan-2-one?
(7R)-7-[(2R)-2-hydroxy-4-phenylbutyl]azepan-2-one has a molecular weight of 261.36 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-[(2R)-2-hydroxy-4-phenylbutyl]azepan-2-one is sourced from PubChem (CID 102319337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).