azocan-1-yl-[(2S)-4-methylmorpholin-2-yl]methanone

C13H24N2O2 — CID 97062142

IUPACazocan-1-yl-[(2S)-4-methylmorpholin-2-yl]methanone
SMILESCN1CCO[C@H](C(=O)N2CCCCCCC2)C1
InChIInChI=1S/C13H24N2O2/c1-14-9-10-17-12(11-14)13(16)15-7-5-3-2-4-6-8-15/h12H,2-11H2,1H3/t12-/m0/s1
InChIKeyYFMJJLHVPBKCRH-LBPRGKRZSA-N
MW240.35 g/mol
LogP1.11
Rot. Bonds1

About azocan-1-yl-[(2S)-4-methylmorpholin-2-yl]methanone

azocan-1-yl-[(2S)-4-methylmorpholin-2-yl]methanone (PubChem CID 97062142) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is azocan-1-yl-[(2S)-4-methylmorpholin-2-yl]methanone.

Molecular Properties

Compound Nameazocan-1-yl-[(2S)-4-methylmorpholin-2-yl]methanone
PubChem CID97062142
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Nameazocan-1-yl-[(2S)-4-methylmorpholin-2-yl]methanone
SMILESCN1CCO[C@H](C(=O)N2CCCCCCC2)C1
InChIInChI=1S/C13H24N2O2/c1-14-9-10-17-12(11-14)13(16)15-7-5-3-2-4-6-8-15/h12H,2-11H2,1H3/t12-/m0/s1
InChIKeyYFMJJLHVPBKCRH-LBPRGKRZSA-N
XLogP1.11
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of azocan-1-yl-[(2S)-4-methylmorpholin-2-yl]methanone?
The IUPAC name of azocan-1-yl-[(2S)-4-methylmorpholin-2-yl]methanone (CID 97062142) is azocan-1-yl-[(2S)-4-methylmorpholin-2-yl]methanone.
What is the SMILES notation for azocan-1-yl-[(2S)-4-methylmorpholin-2-yl]methanone?
The canonical SMILES for azocan-1-yl-[(2S)-4-methylmorpholin-2-yl]methanone is CN1CCO[C@H](C(=O)N2CCCCCCC2)C1.
What is the InChIKey of azocan-1-yl-[(2S)-4-methylmorpholin-2-yl]methanone?
The InChIKey is YFMJJLHVPBKCRH-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-14-9-10-17-12(11-14)13(16)15-7-5-3-2-4-6-8-15/h12H,2-11H2,1H3/t12-/m0/s1.
What are the key properties of azocan-1-yl-[(2S)-4-methylmorpholin-2-yl]methanone?
azocan-1-yl-[(2S)-4-methylmorpholin-2-yl]methanone has a molecular weight of 240.35 g/mol, XLogP of 1.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azocan-1-yl-[(2S)-4-methylmorpholin-2-yl]methanone is sourced from PubChem (CID 97062142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).