(1S,4S,6R,9S,15R)-15-hydroxy-6-methyl-13-azatetracyclo[11.3.1.01,9.04,9]heptadecane-2,8-dione

C17H25NO3 — CID 102020958

IUPAC(1S,4S,6R,9S,15R)-15-hydroxy-6-methyl-13-azatetracyclo[11.3.1.01,9.04,9]heptadecane-2,8-dione
SMILESC[C@H]1CC(=O)[C@]23CCCN4C[C@H](O)C[C@]2(C4)C(=O)C[C@@H]3C1
InChIInChI=1S/C17H25NO3/c1-11-5-12-7-14(20)16-8-13(19)9-18(10-16)4-2-3-17(12,16)15(21)6-11/h11-13,19H,2-10H2,1H3/t11-,12+,13-,16+,17-/m1/s1
InChIKeyFNLHODNZLKBBFH-BBAXIROVSA-N
MW291.39 g/mol
LogP1.41
Rot. Bonds

About (1S,4S,6R,9S,15R)-15-hydroxy-6-methyl-13-azatetracyclo[11.3.1.01,9.04,9]heptadecane-2,8-dione

(1S,4S,6R,9S,15R)-15-hydroxy-6-methyl-13-azatetracyclo[11.3.1.01,9.04,9]heptadecane-2,8-dione (PubChem CID 102020958) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is (1S,4S,6R,9S,15R)-15-hydroxy-6-methyl-13-azatetracyclo[11.3.1.01,9.04,9]heptadecane-2,8-dione.

Molecular Properties

Compound Name(1S,4S,6R,9S,15R)-15-hydroxy-6-methyl-13-azatetracyclo[11.3.1.01,9.04,9]heptadecane-2,8-dione
PubChem CID102020958
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name(1S,4S,6R,9S,15R)-15-hydroxy-6-methyl-13-azatetracyclo[11.3.1.01,9.04,9]heptadecane-2,8-dione
SMILESC[C@H]1CC(=O)[C@]23CCCN4C[C@H](O)C[C@]2(C4)C(=O)C[C@@H]3C1
InChIInChI=1S/C17H25NO3/c1-11-5-12-7-14(20)16-8-13(19)9-18(10-16)4-2-3-17(12,16)15(21)6-11/h11-13,19H,2-10H2,1H3/t11-,12+,13-,16+,17-/m1/s1
InChIKeyFNLHODNZLKBBFH-BBAXIROVSA-N
XLogP1.41
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S,4S,6R,9S,15R)-15-hydroxy-6-methyl-13-azatetracyclo[11.3.1.01,9.04,9]heptadecane-2,8-dione with MolForge

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Related Compounds

(1S,4S,5S,6S,9S)-5-hydroxy-6-methyl-13-azatetracyclo[11.3.1.01,9.04,9]heptadecane-2,8-dione;2,2,2-trifluoroacetic acid
CID 168281827
(1S,2S,4S,5S,6S,9S)-5-hydroxy-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadecan-8-one
CID 12042006
(1S,4S,5S,6S,9S)-5-hydroxy-6-methyl-13-azatetracyclo[11.3.1.01,9.04,9]heptadecane-2,8-dione
CID 101206186
(1S,2S,4R,6S,9S,11S)-2,11-dihydroxy-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadecan-8-one
CID 101206187
(1R,4S,5S,6S,9S)-5-hydroxy-6-methyl-13-azatetracyclo[11.3.1.01,9.04,9]heptadecane-2,8-dione
CID 163028093
(1S,2S,4R,5S,6R,9S)-5-hydroxy-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadecan-8-one
CID 163074327
(1S,4S,6R,9S,15S)-15-hydroxy-6-methyl-13-azatetracyclo[11.3.1.01,9.04,9]heptadecane-2,8-dione
CID 162973203
Palhinine B
CID 102443802
(1S,9S)-5-hydroxy-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadecan-8-one
CID 10332977
(1S,4S,5S,6S,9S)-5-hydroxy-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadecan-8-one
CID 10989125
5-Hydroxy-4-methyl-13-azatetracyclo[7.7.0.01,6.02,13]hexadecan-8-one
CID 85113405
(1R,3S,9S,12R,14S)-3-hydroxy-5-methyl-5-azatetracyclo[10.4.1.01,9.09,14]heptadecane-10,16-dione
CID 102443803

Frequently Asked Questions

What is the IUPAC name of (1S,4S,6R,9S,15R)-15-hydroxy-6-methyl-13-azatetracyclo[11.3.1.01,9.04,9]heptadecane-2,8-dione?
The IUPAC name of (1S,4S,6R,9S,15R)-15-hydroxy-6-methyl-13-azatetracyclo[11.3.1.01,9.04,9]heptadecane-2,8-dione (CID 102020958) is (1S,4S,6R,9S,15R)-15-hydroxy-6-methyl-13-azatetracyclo[11.3.1.01,9.04,9]heptadecane-2,8-dione.
What is the SMILES notation for (1S,4S,6R,9S,15R)-15-hydroxy-6-methyl-13-azatetracyclo[11.3.1.01,9.04,9]heptadecane-2,8-dione?
The canonical SMILES for (1S,4S,6R,9S,15R)-15-hydroxy-6-methyl-13-azatetracyclo[11.3.1.01,9.04,9]heptadecane-2,8-dione is C[C@H]1CC(=O)[C@]23CCCN4C[C@H](O)C[C@]2(C4)C(=O)C[C@@H]3C1.
What is the InChIKey of (1S,4S,6R,9S,15R)-15-hydroxy-6-methyl-13-azatetracyclo[11.3.1.01,9.04,9]heptadecane-2,8-dione?
The InChIKey is FNLHODNZLKBBFH-BBAXIROVSA-N. The full InChI is InChI=1S/C17H25NO3/c1-11-5-12-7-14(20)16-8-13(19)9-18(10-16)4-2-3-17(12,16)15(21)6-11/h11-13,19H,2-10H2,1H3/t11-,12+,13-,16+,17-/m1/s1.
What are the key properties of (1S,4S,6R,9S,15R)-15-hydroxy-6-methyl-13-azatetracyclo[11.3.1.01,9.04,9]heptadecane-2,8-dione?
(1S,4S,6R,9S,15R)-15-hydroxy-6-methyl-13-azatetracyclo[11.3.1.01,9.04,9]heptadecane-2,8-dione has a molecular weight of 291.39 g/mol, XLogP of 1.41, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S,6R,9S,15R)-15-hydroxy-6-methyl-13-azatetracyclo[11.3.1.01,9.04,9]heptadecane-2,8-dione is sourced from PubChem (CID 102020958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).