(1S,10S,11S,12S,13R,15S)-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadec-2-ene-11,12-diol

C16H25NO2 — CID 163047321

IUPAC(1S,10S,11S,12S,13R,15S)-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadec-2-ene-11,12-diol
SMILESC[C@H]1C[C@@H]2C3=CCCN4CCC[C@H]([C@H](O)[C@H]2O)[C@@]34C1
InChIInChI=1S/C16H25NO2/c1-10-8-11-12-4-2-6-17-7-3-5-13(15(19)14(11)18)16(12,17)9-10/h4,10-11,13-15,18-19H,2-3,5-9H2,1H3/t10-,11+,13+,14-,15-,16+/m0/s1
InChIKeyPGFDCVXTDHLBKG-BWWHORKDSA-N
MW263.38 g/mol
LogP1.55
Rot. Bonds

About (1S,10S,11S,12S,13R,15S)-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadec-2-ene-11,12-diol

(1S,10S,11S,12S,13R,15S)-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadec-2-ene-11,12-diol (PubChem CID 163047321) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is (1S,10S,11S,12S,13R,15S)-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadec-2-ene-11,12-diol.

Molecular Properties

Compound Name(1S,10S,11S,12S,13R,15S)-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadec-2-ene-11,12-diol
PubChem CID163047321
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name(1S,10S,11S,12S,13R,15S)-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadec-2-ene-11,12-diol
SMILESC[C@H]1C[C@@H]2C3=CCCN4CCC[C@H]([C@H](O)[C@H]2O)[C@@]34C1
InChIInChI=1S/C16H25NO2/c1-10-8-11-12-4-2-6-17-7-3-5-13(15(19)14(11)18)16(12,17)9-10/h4,10-11,13-15,18-19H,2-3,5-9H2,1H3/t10-,11+,13+,14-,15-,16+/m0/s1
InChIKeyPGFDCVXTDHLBKG-BWWHORKDSA-N
XLogP1.55
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S,10S,11S,12S,13R,15S)-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadec-2-ene-11,12-diol?
The IUPAC name of (1S,10S,11S,12S,13R,15S)-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadec-2-ene-11,12-diol (CID 163047321) is (1S,10S,11S,12S,13R,15S)-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadec-2-ene-11,12-diol.
What is the SMILES notation for (1S,10S,11S,12S,13R,15S)-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadec-2-ene-11,12-diol?
The canonical SMILES for (1S,10S,11S,12S,13R,15S)-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadec-2-ene-11,12-diol is C[C@H]1C[C@@H]2C3=CCCN4CCC[C@H]([C@H](O)[C@H]2O)[C@@]34C1.
What is the InChIKey of (1S,10S,11S,12S,13R,15S)-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadec-2-ene-11,12-diol?
The InChIKey is PGFDCVXTDHLBKG-BWWHORKDSA-N. The full InChI is InChI=1S/C16H25NO2/c1-10-8-11-12-4-2-6-17-7-3-5-13(15(19)14(11)18)16(12,17)9-10/h4,10-11,13-15,18-19H,2-3,5-9H2,1H3/t10-,11+,13+,14-,15-,16+/m0/s1.
What are the key properties of (1S,10S,11S,12S,13R,15S)-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadec-2-ene-11,12-diol?
(1S,10S,11S,12S,13R,15S)-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadec-2-ene-11,12-diol has a molecular weight of 263.38 g/mol, XLogP of 1.55, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,10S,11S,12S,13R,15S)-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadec-2-ene-11,12-diol is sourced from PubChem (CID 163047321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).