(6R,10S)-10-amino-3-(hydroxymethyl)-6-methyl-4-azabicyclo[9.3.1]pentadeca-1(15),11,13-trien-5-one

C16H24N2O2 — CID 126537668

IUPAC(6R,10S)-10-amino-3-(hydroxymethyl)-6-methyl-4-azabicyclo[9.3.1]pentadeca-1(15),11,13-trien-5-one
SMILESC[C@@H]1CCC[C@H](N)c2cccc(c2)CC(CO)NC1=O
InChIInChI=1S/C16H24N2O2/c1-11-4-2-7-15(17)13-6-3-5-12(8-13)9-14(10-19)18-16(11)20/h3,5-6,8,11,14-15,19H,2,4,7,9-10,17H2,1H3,(H,18,20)/t11-,14?,15+/m1/s1
InChIKeyYQGJRAKYWNKNHN-QTWGFKIWSA-N
MW276.38 g/mol
LogP1.53
Rot. Bonds1

About (6R,10S)-10-amino-3-(hydroxymethyl)-6-methyl-4-azabicyclo[9.3.1]pentadeca-1(15),11,13-trien-5-one

(6R,10S)-10-amino-3-(hydroxymethyl)-6-methyl-4-azabicyclo[9.3.1]pentadeca-1(15),11,13-trien-5-one (PubChem CID 126537668) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (6R,10S)-10-amino-3-(hydroxymethyl)-6-methyl-4-azabicyclo[9.3.1]pentadeca-1(15),11,13-trien-5-one.

Molecular Properties

Compound Name(6R,10S)-10-amino-3-(hydroxymethyl)-6-methyl-4-azabicyclo[9.3.1]pentadeca-1(15),11,13-trien-5-one
PubChem CID126537668
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(6R,10S)-10-amino-3-(hydroxymethyl)-6-methyl-4-azabicyclo[9.3.1]pentadeca-1(15),11,13-trien-5-one
SMILESC[C@@H]1CCC[C@H](N)c2cccc(c2)CC(CO)NC1=O
InChIInChI=1S/C16H24N2O2/c1-11-4-2-7-15(17)13-6-3-5-12(8-13)9-14(10-19)18-16(11)20/h3,5-6,8,11,14-15,19H,2,4,7,9-10,17H2,1H3,(H,18,20)/t11-,14?,15+/m1/s1
InChIKeyYQGJRAKYWNKNHN-QTWGFKIWSA-N
XLogP1.53
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6R,10S)-10-amino-3-(hydroxymethyl)-6-methyl-4-azabicyclo[9.3.1]pentadeca-1(15),11,13-trien-5-one?
The IUPAC name of (6R,10S)-10-amino-3-(hydroxymethyl)-6-methyl-4-azabicyclo[9.3.1]pentadeca-1(15),11,13-trien-5-one (CID 126537668) is (6R,10S)-10-amino-3-(hydroxymethyl)-6-methyl-4-azabicyclo[9.3.1]pentadeca-1(15),11,13-trien-5-one.
What is the SMILES notation for (6R,10S)-10-amino-3-(hydroxymethyl)-6-methyl-4-azabicyclo[9.3.1]pentadeca-1(15),11,13-trien-5-one?
The canonical SMILES for (6R,10S)-10-amino-3-(hydroxymethyl)-6-methyl-4-azabicyclo[9.3.1]pentadeca-1(15),11,13-trien-5-one is C[C@@H]1CCC[C@H](N)c2cccc(c2)CC(CO)NC1=O.
What is the InChIKey of (6R,10S)-10-amino-3-(hydroxymethyl)-6-methyl-4-azabicyclo[9.3.1]pentadeca-1(15),11,13-trien-5-one?
The InChIKey is YQGJRAKYWNKNHN-QTWGFKIWSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11-4-2-7-15(17)13-6-3-5-12(8-13)9-14(10-19)18-16(11)20/h3,5-6,8,11,14-15,19H,2,4,7,9-10,17H2,1H3,(H,18,20)/t11-,14?,15+/m1/s1.
What are the key properties of (6R,10S)-10-amino-3-(hydroxymethyl)-6-methyl-4-azabicyclo[9.3.1]pentadeca-1(15),11,13-trien-5-one?
(6R,10S)-10-amino-3-(hydroxymethyl)-6-methyl-4-azabicyclo[9.3.1]pentadeca-1(15),11,13-trien-5-one has a molecular weight of 276.38 g/mol, XLogP of 1.53, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,10S)-10-amino-3-(hydroxymethyl)-6-methyl-4-azabicyclo[9.3.1]pentadeca-1(15),11,13-trien-5-one is sourced from PubChem (CID 126537668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).