17-hydroxy-15-methyl-6-azatetracyclo[8.7.0.01,13.06,17]heptadecan-11-one

C17H27NO2 — CID 163056711

IUPAC17-hydroxy-15-methyl-6-azatetracyclo[8.7.0.01,13.06,17]heptadecan-11-one
SMILESCC1CC2CC(=O)C3CCCN4CCCCC23C4(O)C1
InChIInChI=1S/C17H27NO2/c1-12-9-13-10-15(19)14-5-4-8-18-7-3-2-6-16(13,14)17(18,20)11-12/h12-14,20H,2-11H2,1H3
InChIKeyLIAOMFRUDNEIRY-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.58
Rot. Bonds

About 17-hydroxy-15-methyl-6-azatetracyclo[8.7.0.01,13.06,17]heptadecan-11-one

17-hydroxy-15-methyl-6-azatetracyclo[8.7.0.01,13.06,17]heptadecan-11-one (PubChem CID 163056711) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 17-hydroxy-15-methyl-6-azatetracyclo[8.7.0.01,13.06,17]heptadecan-11-one.

Molecular Properties

Compound Name17-hydroxy-15-methyl-6-azatetracyclo[8.7.0.01,13.06,17]heptadecan-11-one
PubChem CID163056711
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name17-hydroxy-15-methyl-6-azatetracyclo[8.7.0.01,13.06,17]heptadecan-11-one
SMILESCC1CC2CC(=O)C3CCCN4CCCCC23C4(O)C1
InChIInChI=1S/C17H27NO2/c1-12-9-13-10-15(19)14-5-4-8-18-7-3-2-6-16(13,14)17(18,20)11-12/h12-14,20H,2-11H2,1H3
InChIKeyLIAOMFRUDNEIRY-UHFFFAOYSA-N
XLogP2.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2R,3S,10S,13R,15R)-3-hydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one
CID 21457278
(1S,11R,14S)-1-hydroxy-14-methylbicyclo[9.4.0]pentadecan-12-one
CID 45380105
(1R,2R,10S,13S)-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one
CID 6710668
(15R)-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one
CID 171345971
(2R,10S,13S,15S)-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one
CID 11880717
(1S,4R,6S,9S,11S)-2,11-dihydroxy-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadec-14-en-8-one
CID 163187929
(1R,2R,13R,15S)-2,10-dihydroxy-15-methyl-6-azatetracyclo[7.7.0.01,6.02,13]hexadec-9-en-11-one
CID 177413449
(2S,3aR,7aR)-2-methyl-1,2,3,4,5,6,7,7a-octahydroinden-3a-ol
CID 101060141
(1S,2R,10S,13S,15R)-2-hydroxy-15-methyl-6-oxido-6-azoniatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one
CID 12989874
tert-butyl (1S,6S)-4-methyl-2,8-dioxo-13-azatricyclo[7.7.0.01,6]hexadecane-13-carboxylate
CID 135025003
(1S,4R,6S,8Z)-8-hydroxyimino-4,13-dimethyl-13-azatricyclo[7.7.0.01,6]hexadecan-2-one
CID 102020956
(1S,3R,8R,9R,12S,14R,16R)-16-hydroxy-5,14-dimethyl-5-azatetracyclo[7.7.0.01,12.03,8]hexadecan-10-one
CID 162963749

Frequently Asked Questions

What is the IUPAC name of 17-hydroxy-15-methyl-6-azatetracyclo[8.7.0.01,13.06,17]heptadecan-11-one?
The IUPAC name of 17-hydroxy-15-methyl-6-azatetracyclo[8.7.0.01,13.06,17]heptadecan-11-one (CID 163056711) is 17-hydroxy-15-methyl-6-azatetracyclo[8.7.0.01,13.06,17]heptadecan-11-one.
What is the SMILES notation for 17-hydroxy-15-methyl-6-azatetracyclo[8.7.0.01,13.06,17]heptadecan-11-one?
The canonical SMILES for 17-hydroxy-15-methyl-6-azatetracyclo[8.7.0.01,13.06,17]heptadecan-11-one is CC1CC2CC(=O)C3CCCN4CCCCC23C4(O)C1.
What is the InChIKey of 17-hydroxy-15-methyl-6-azatetracyclo[8.7.0.01,13.06,17]heptadecan-11-one?
The InChIKey is LIAOMFRUDNEIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-12-9-13-10-15(19)14-5-4-8-18-7-3-2-6-16(13,14)17(18,20)11-12/h12-14,20H,2-11H2,1H3.
What are the key properties of 17-hydroxy-15-methyl-6-azatetracyclo[8.7.0.01,13.06,17]heptadecan-11-one?
17-hydroxy-15-methyl-6-azatetracyclo[8.7.0.01,13.06,17]heptadecan-11-one has a molecular weight of 277.41 g/mol, XLogP of 2.58, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 17-hydroxy-15-methyl-6-azatetracyclo[8.7.0.01,13.06,17]heptadecan-11-one is sourced from PubChem (CID 163056711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).