6-cyclohexyl-9-hydroxy-5-methyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one

C16H23NO3 — CID 50878054

IUPAC6-cyclohexyl-9-hydroxy-5-methyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
SMILESCN1C(=O)C2C3CC4C(OC1(C1CCCCC1)C42)C3O
InChIInChI=1S/C16H23NO3/c1-17-15(19)11-9-7-10-12(11)16(17,20-14(10)13(9)18)8-5-3-2-4-6-8/h8-14,18H,2-7H2,1H3
InChIKeyNGTRNIDEGZEAGS-UHFFFAOYSA-N
MW277.36 g/mol
LogP1.38
Rot. Bonds1

About 6-cyclohexyl-9-hydroxy-5-methyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one

6-cyclohexyl-9-hydroxy-5-methyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one (PubChem CID 50878054) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 6-cyclohexyl-9-hydroxy-5-methyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one.

Molecular Properties

Compound Name6-cyclohexyl-9-hydroxy-5-methyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
PubChem CID50878054
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name6-cyclohexyl-9-hydroxy-5-methyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
SMILESCN1C(=O)C2C3CC4C(OC1(C1CCCCC1)C42)C3O
InChIInChI=1S/C16H23NO3/c1-17-15(19)11-9-7-10-12(11)16(17,20-14(10)13(9)18)8-5-3-2-4-6-8/h8-14,18H,2-7H2,1H3
InChIKeyNGTRNIDEGZEAGS-UHFFFAOYSA-N
XLogP1.38
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-cyclohexyl-9-hydroxy-5-(4-methylphenyl)-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
CID 50878072
(1S,2S,3S,6S,8S,9R,10S)-6-ethyl-9-hydroxy-5-methyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
CID 124711941
6-cyclohexyl-9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
CID 50877526
5-cyclohexyl-6-ethenyl-9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
CID 54857126
5-(cyclopropylmethyl)-9-hydroxy-6-propan-2-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
CID 66486310
5-tert-butyl-9-hydroxy-6-propan-2-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
CID 54857217
5-cyclopropyl-9-hydroxy-6-phenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
CID 54857206
(1S,2S,3R,6S,8S,9R,10S)-6-ethyl-9-hydroxy-5-propan-2-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
CID 124756351
9-hydroxy-6-phenyl-5-propan-2-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
CID 43859635
(1S,2R,3S,6S,8S,9R,10S)-5-(4-bromophenyl)-9-hydroxy-6-propan-2-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
CID 124711296
9-hydroxy-5,6-bis(4-methylphenyl)-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
CID 50878056
(1S,2S,3S,6S,8S,9R,10S)-6-ethyl-9-hydroxy-5-phenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
CID 124752043

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-9-hydroxy-5-methyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one?
The IUPAC name of 6-cyclohexyl-9-hydroxy-5-methyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one (CID 50878054) is 6-cyclohexyl-9-hydroxy-5-methyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one.
What is the SMILES notation for 6-cyclohexyl-9-hydroxy-5-methyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one?
The canonical SMILES for 6-cyclohexyl-9-hydroxy-5-methyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one is CN1C(=O)C2C3CC4C(OC1(C1CCCCC1)C42)C3O.
What is the InChIKey of 6-cyclohexyl-9-hydroxy-5-methyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one?
The InChIKey is NGTRNIDEGZEAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-17-15(19)11-9-7-10-12(11)16(17,20-14(10)13(9)18)8-5-3-2-4-6-8/h8-14,18H,2-7H2,1H3.
What are the key properties of 6-cyclohexyl-9-hydroxy-5-methyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one?
6-cyclohexyl-9-hydroxy-5-methyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one has a molecular weight of 277.36 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-9-hydroxy-5-methyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one is sourced from PubChem (CID 50878054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).