(7S)-7-[(1R)-1-hydroxyethyl]-1-methoxyazepan-2-one

C9H17NO3 — CID 101497218

IUPAC(7S)-7-[(1R)-1-hydroxyethyl]-1-methoxyazepan-2-one
SMILESCON1C(=O)CCCC[C@H]1[C@@H](C)O
InChIInChI=1S/C9H17NO3/c1-7(11)8-5-3-4-6-9(12)10(8)13-2/h7-8,11H,3-6H2,1-2H3/t7-,8+/m1/s1
InChIKeyVIZNSDLDAWNFAW-SFYZADRCSA-N
MW187.24 g/mol
LogP0.70
Rot. Bonds2

About (7S)-7-[(1R)-1-hydroxyethyl]-1-methoxyazepan-2-one

(7S)-7-[(1R)-1-hydroxyethyl]-1-methoxyazepan-2-one (PubChem CID 101497218) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is (7S)-7-[(1R)-1-hydroxyethyl]-1-methoxyazepan-2-one.

Molecular Properties

Compound Name(7S)-7-[(1R)-1-hydroxyethyl]-1-methoxyazepan-2-one
PubChem CID101497218
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name(7S)-7-[(1R)-1-hydroxyethyl]-1-methoxyazepan-2-one
SMILESCON1C(=O)CCCC[C@H]1[C@@H](C)O
InChIInChI=1S/C9H17NO3/c1-7(11)8-5-3-4-6-9(12)10(8)13-2/h7-8,11H,3-6H2,1-2H3/t7-,8+/m1/s1
InChIKeyVIZNSDLDAWNFAW-SFYZADRCSA-N
XLogP0.70
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(7S)-7-[(1S)-1-hydroxy-2-triphenylsilylethyl]-1-methoxyazepan-2-one
CID 134837238
(7R)-7-ethenyl-1-methoxyazepan-2-one
CID 102485106
(7R)-1-methoxy-7-[(E)-2-tri(propan-2-yl)silylethenyl]azepan-2-one
CID 102485116
1-(2-hydroxyethyl)-7-propan-2-ylazepan-2-one
CID 10679504
1-methoxyazepane-2,7-dione
CID 134892605
2-[hydroxy(methoxy)methyl]cycloheptan-1-one
CID 123902559
1-methoxy-7-[(E)-2-triphenylsilylethenyl]azepan-2-one
CID 134837237
methyl (2S)-2-hydroxy-2-[(1S)-2-oxocyclohexyl]acetate
CID 86315618
2-[(1S)-1-hydroxypropyl]cyclohexan-1-one
CID 10749429
1,6-di(propan-2-yl)piperidin-2-one;ethane
CID 167704362
methyl (3S,11aS)-5-oxo-1,2,3,6,7,8,9,10,11,11a-decahydropyrrolo[1,2-a]azonine-3-carboxylate
CID 168982403
1-(2-hydroxycyclohexyl)azepane-2,7-dione
CID 60884902

Frequently Asked Questions

What is the IUPAC name of (7S)-7-[(1R)-1-hydroxyethyl]-1-methoxyazepan-2-one?
The IUPAC name of (7S)-7-[(1R)-1-hydroxyethyl]-1-methoxyazepan-2-one (CID 101497218) is (7S)-7-[(1R)-1-hydroxyethyl]-1-methoxyazepan-2-one.
What is the SMILES notation for (7S)-7-[(1R)-1-hydroxyethyl]-1-methoxyazepan-2-one?
The canonical SMILES for (7S)-7-[(1R)-1-hydroxyethyl]-1-methoxyazepan-2-one is CON1C(=O)CCCC[C@H]1[C@@H](C)O.
What is the InChIKey of (7S)-7-[(1R)-1-hydroxyethyl]-1-methoxyazepan-2-one?
The InChIKey is VIZNSDLDAWNFAW-SFYZADRCSA-N. The full InChI is InChI=1S/C9H17NO3/c1-7(11)8-5-3-4-6-9(12)10(8)13-2/h7-8,11H,3-6H2,1-2H3/t7-,8+/m1/s1.
What are the key properties of (7S)-7-[(1R)-1-hydroxyethyl]-1-methoxyazepan-2-one?
(7S)-7-[(1R)-1-hydroxyethyl]-1-methoxyazepan-2-one has a molecular weight of 187.24 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-[(1R)-1-hydroxyethyl]-1-methoxyazepan-2-one is sourced from PubChem (CID 101497218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).