(1R,2R,10S,13S)-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one

C16H25NO — CID 6710668

IUPAC(1R,2R,10S,13S)-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one
SMILESCC1C[C@H]2CC(=O)[C@H]3CCCN4CCC[C@H]2[C@]34C1
InChIInChI=1S/C16H25NO/c1-11-8-12-9-15(18)14-5-3-7-17-6-2-4-13(12)16(14,17)10-11/h11-14H,2-10H2,1H3/t11?,12-,13+,14+,16+/m0/s1
InChIKeyBCZFSDNVXODRAJ-DFKKCSDESA-N
MW247.38 g/mol
LogP2.87
Rot. Bonds

About (1R,2R,10S,13S)-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one

(1R,2R,10S,13S)-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one (PubChem CID 6710668) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is (1R,2R,10S,13S)-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one.

Molecular Properties

Compound Name(1R,2R,10S,13S)-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one
PubChem CID6710668
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name(1R,2R,10S,13S)-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one
SMILESCC1C[C@H]2CC(=O)[C@H]3CCCN4CCC[C@H]2[C@]34C1
InChIInChI=1S/C16H25NO/c1-11-8-12-9-15(18)14-5-3-7-17-6-2-4-13(12)16(14,17)10-11/h11-14H,2-10H2,1H3/t11?,12-,13+,14+,16+/m0/s1
InChIKeyBCZFSDNVXODRAJ-DFKKCSDESA-N
XLogP2.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,10S,13S)-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one?
The IUPAC name of (1R,2R,10S,13S)-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one (CID 6710668) is (1R,2R,10S,13S)-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one.
What is the SMILES notation for (1R,2R,10S,13S)-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one?
The canonical SMILES for (1R,2R,10S,13S)-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one is CC1C[C@H]2CC(=O)[C@H]3CCCN4CCC[C@H]2[C@]34C1.
What is the InChIKey of (1R,2R,10S,13S)-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one?
The InChIKey is BCZFSDNVXODRAJ-DFKKCSDESA-N. The full InChI is InChI=1S/C16H25NO/c1-11-8-12-9-15(18)14-5-3-7-17-6-2-4-13(12)16(14,17)10-11/h11-14H,2-10H2,1H3/t11?,12-,13+,14+,16+/m0/s1.
What are the key properties of (1R,2R,10S,13S)-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one?
(1R,2R,10S,13S)-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one has a molecular weight of 247.38 g/mol, XLogP of 2.87, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,10S,13S)-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one is sourced from PubChem (CID 6710668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).