(1R,3S,8R,9R,10S,12R)-10-hydroxy-5-methyl-5-azatetracyclo[7.7.0.01,12.03,8]hexadec-15-ene-4,14-dione

C16H21NO3 — CID 10945679

IUPAC(1R,3S,8R,9R,10S,12R)-10-hydroxy-5-methyl-5-azatetracyclo[7.7.0.01,12.03,8]hexadec-15-ene-4,14-dione
SMILESCN1CC[C@@H]2[C@H]3[C@@H](O)C[C@@H]4CC(=O)C=C[C@@]43C[C@@H]2C1=O
InChIInChI=1S/C16H21NO3/c1-17-5-3-11-12(15(17)20)8-16-4-2-10(18)6-9(16)7-13(19)14(11)16/h2,4,9,11-14,19H,3,5-8H2,1H3/t9-,11-,12-,13-,14-,16+/m0/s1
InChIKeyLNRHMFMCMLNUTC-RDVNKRSCSA-N
MW275.35 g/mol
LogP1.00
Rot. Bonds

About (1R,3S,8R,9R,10S,12R)-10-hydroxy-5-methyl-5-azatetracyclo[7.7.0.01,12.03,8]hexadec-15-ene-4,14-dione

(1R,3S,8R,9R,10S,12R)-10-hydroxy-5-methyl-5-azatetracyclo[7.7.0.01,12.03,8]hexadec-15-ene-4,14-dione (PubChem CID 10945679) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is (1R,3S,8R,9R,10S,12R)-10-hydroxy-5-methyl-5-azatetracyclo[7.7.0.01,12.03,8]hexadec-15-ene-4,14-dione.

Molecular Properties

Compound Name(1R,3S,8R,9R,10S,12R)-10-hydroxy-5-methyl-5-azatetracyclo[7.7.0.01,12.03,8]hexadec-15-ene-4,14-dione
PubChem CID10945679
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name(1R,3S,8R,9R,10S,12R)-10-hydroxy-5-methyl-5-azatetracyclo[7.7.0.01,12.03,8]hexadec-15-ene-4,14-dione
SMILESCN1CC[C@@H]2[C@H]3[C@@H](O)C[C@@H]4CC(=O)C=C[C@@]43C[C@@H]2C1=O
InChIInChI=1S/C16H21NO3/c1-17-5-3-11-12(15(17)20)8-16-4-2-10(18)6-9(16)7-13(19)14(11)16/h2,4,9,11-14,19H,3,5-8H2,1H3/t9-,11-,12-,13-,14-,16+/m0/s1
InChIKeyLNRHMFMCMLNUTC-RDVNKRSCSA-N
XLogP1.00
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R,3S,8R,9R,10S,12R)-10-hydroxy-5-methyl-5-azatetracyclo[7.7.0.01,12.03,8]hexadec-15-ene-4,14-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,3S,8R,9R,10S,12R)-10-hydroxy-5-methyl-5-azatetracyclo[7.7.0.01,12.03,8]hexadec-15-ene-4,14-dione?
The IUPAC name of (1R,3S,8R,9R,10S,12R)-10-hydroxy-5-methyl-5-azatetracyclo[7.7.0.01,12.03,8]hexadec-15-ene-4,14-dione (CID 10945679) is (1R,3S,8R,9R,10S,12R)-10-hydroxy-5-methyl-5-azatetracyclo[7.7.0.01,12.03,8]hexadec-15-ene-4,14-dione.
What is the SMILES notation for (1R,3S,8R,9R,10S,12R)-10-hydroxy-5-methyl-5-azatetracyclo[7.7.0.01,12.03,8]hexadec-15-ene-4,14-dione?
The canonical SMILES for (1R,3S,8R,9R,10S,12R)-10-hydroxy-5-methyl-5-azatetracyclo[7.7.0.01,12.03,8]hexadec-15-ene-4,14-dione is CN1CC[C@@H]2[C@H]3[C@@H](O)C[C@@H]4CC(=O)C=C[C@@]43C[C@@H]2C1=O.
What is the InChIKey of (1R,3S,8R,9R,10S,12R)-10-hydroxy-5-methyl-5-azatetracyclo[7.7.0.01,12.03,8]hexadec-15-ene-4,14-dione?
The InChIKey is LNRHMFMCMLNUTC-RDVNKRSCSA-N. The full InChI is InChI=1S/C16H21NO3/c1-17-5-3-11-12(15(17)20)8-16-4-2-10(18)6-9(16)7-13(19)14(11)16/h2,4,9,11-14,19H,3,5-8H2,1H3/t9-,11-,12-,13-,14-,16+/m0/s1.
What are the key properties of (1R,3S,8R,9R,10S,12R)-10-hydroxy-5-methyl-5-azatetracyclo[7.7.0.01,12.03,8]hexadec-15-ene-4,14-dione?
(1R,3S,8R,9R,10S,12R)-10-hydroxy-5-methyl-5-azatetracyclo[7.7.0.01,12.03,8]hexadec-15-ene-4,14-dione has a molecular weight of 275.35 g/mol, XLogP of 1.00, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,8R,9R,10S,12R)-10-hydroxy-5-methyl-5-azatetracyclo[7.7.0.01,12.03,8]hexadec-15-ene-4,14-dione is sourced from PubChem (CID 10945679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).