(1R,2R,13R,15S)-2,10-dihydroxy-15-methyl-6-azatetracyclo[7.7.0.01,6.02,13]hexadec-9-en-11-one

C16H23NO3 — CID 177413449

IUPAC(1R,2R,13R,15S)-2,10-dihydroxy-15-methyl-6-azatetracyclo[7.7.0.01,6.02,13]hexadec-9-en-11-one
SMILESC[C@H]1C[C@@H]2CC(=O)C(O)=C3CCN4CCC[C@]2(O)[C@@]34C1
InChIInChI=1S/C16H23NO3/c1-10-7-11-8-13(18)14(19)12-3-6-17-5-2-4-16(11,20)15(12,17)9-10/h10-11,19-20H,2-9H2,1H3/t10-,11+,15+,16+/m0/s1
InChIKeyGUHDXXGJMVTAEM-IRHXVLAXSA-N
MW277.36 g/mol
LogP1.79
Rot. Bonds

About (1R,2R,13R,15S)-2,10-dihydroxy-15-methyl-6-azatetracyclo[7.7.0.01,6.02,13]hexadec-9-en-11-one

(1R,2R,13R,15S)-2,10-dihydroxy-15-methyl-6-azatetracyclo[7.7.0.01,6.02,13]hexadec-9-en-11-one (PubChem CID 177413449) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is (1R,2R,13R,15S)-2,10-dihydroxy-15-methyl-6-azatetracyclo[7.7.0.01,6.02,13]hexadec-9-en-11-one.

Molecular Properties

Compound Name(1R,2R,13R,15S)-2,10-dihydroxy-15-methyl-6-azatetracyclo[7.7.0.01,6.02,13]hexadec-9-en-11-one
PubChem CID177413449
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name(1R,2R,13R,15S)-2,10-dihydroxy-15-methyl-6-azatetracyclo[7.7.0.01,6.02,13]hexadec-9-en-11-one
SMILESC[C@H]1C[C@@H]2CC(=O)C(O)=C3CCN4CCC[C@]2(O)[C@@]34C1
InChIInChI=1S/C16H23NO3/c1-10-7-11-8-13(18)14(19)12-3-6-17-5-2-4-16(11,20)15(12,17)9-10/h10-11,19-20H,2-9H2,1H3/t10-,11+,15+,16+/m0/s1
InChIKeyGUHDXXGJMVTAEM-IRHXVLAXSA-N
XLogP1.79
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1R,2R,13R,15S)-2,10-dihydroxy-15-methyl-6-azatetracyclo[7.7.0.01,6.02,13]hexadec-9-en-11-one with MolForge

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Related Compounds

17-hydroxy-15-methyl-6-azatetracyclo[8.7.0.01,13.06,17]heptadecan-11-one
CID 163056711
(1S,2R,13R,15R)-2-hydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadeca-7,9-diene-11,12-dione
CID 177491579
(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
(1R,4S,9S,14S)-13-hydroxy-6-methyl-17-oxa-13-azatetracyclo[12.2.1.01,9.04,9]heptadecane-2,8-dione
CID 135024468
5-hydroxy-6-methyl-13-azatetracyclo[7.7.0.01,13.04,9]hexadecane-2,8-dione
CID 579727
(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
tert-butyl (1S)-4-methyl-2-oxo-13-azatricyclo[7.7.0.01,6]hexadec-8-ene-13-carboxylate
CID 135067265
(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,8S)-8-hydroxy-5-methyl-12-azatetracyclo[10.4.0.01,6.03,8]hexadecane-7,16-dione
CID 45101514
8-hydroxy-5-methyl-12-azatetracyclo[10.4.0.01,6.03,8]hexadecane-7,16-dione
CID 75041764

Frequently Asked Questions

What is the IUPAC name of (1R,2R,13R,15S)-2,10-dihydroxy-15-methyl-6-azatetracyclo[7.7.0.01,6.02,13]hexadec-9-en-11-one?
The IUPAC name of (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) is (1R,2R,13R,15S)-2,10-dihydroxy-15-methyl-6-azatetracyclo[7.7.0.01,6.02,13]hexadec-9-en-11-one.
What is the SMILES notation for (1R,2R,13R,15S)-2,10-dihydroxy-15-methyl-6-azatetracyclo[7.7.0.01,6.02,13]hexadec-9-en-11-one?
The canonical SMILES for (1R,2R,13R,15S)-2,10-dihydroxy-15-methyl-6-azatetracyclo[7.7.0.01,6.02,13]hexadec-9-en-11-one is C[C@H]1C[C@@H]2CC(=O)C(O)=C3CCN4CCC[C@]2(O)[C@@]34C1.
What is the InChIKey of (1R,2R,13R,15S)-2,10-dihydroxy-15-methyl-6-azatetracyclo[7.7.0.01,6.02,13]hexadec-9-en-11-one?
The InChIKey is GUHDXXGJMVTAEM-IRHXVLAXSA-N. The full InChI is InChI=1S/C16H23NO3/c1-10-7-11-8-13(18)14(19)12-3-6-17-5-2-4-16(11,20)15(12,17)9-10/h10-11,19-20H,2-9H2,1H3/t10-,11+,15+,16+/m0/s1.
What are the key properties of (1R,2R,13R,15S)-2,10-dihydroxy-15-methyl-6-azatetracyclo[7.7.0.01,6.02,13]hexadec-9-en-11-one?
(1R,2R,13R,15S)-2,10-dihydroxy-15-methyl-6-azatetracyclo[7.7.0.01,6.02,13]hexadec-9-en-11-one has a molecular weight of 277.36 g/mol, XLogP of 1.79, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,13R,15S)-2,10-dihydroxy-15-methyl-6-azatetracyclo[7.7.0.01,6.02,13]hexadec-9-en-11-one is sourced from PubChem (CID 177413449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).