1-[(3S)-3-ethylmorpholin-4-yl]-3-(5-methyltetrazol-1-yl)propan-1-one

C11H19N5O2 — CID 70756628

IUPAC1-[(3S)-3-ethylmorpholin-4-yl]-3-(5-methyltetrazol-1-yl)propan-1-one
SMILESCC[C@H]1COCCN1C(=O)CCn1nnnc1C
InChIInChI=1S/C11H19N5O2/c1-3-10-8-18-7-6-15(10)11(17)4-5-16-9(2)12-13-14-16/h10H,3-8H2,1-2H3/t10-/m0/s1
InChIKeyXGSJXPIMOGHIGH-JTQLQIEISA-N
MW253.31 g/mol
LogP0.01
Rot. Bonds4

About 1-[(3S)-3-ethylmorpholin-4-yl]-3-(5-methyltetrazol-1-yl)propan-1-one

1-[(3S)-3-ethylmorpholin-4-yl]-3-(5-methyltetrazol-1-yl)propan-1-one (PubChem CID 70756628) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 1-[(3S)-3-ethylmorpholin-4-yl]-3-(5-methyltetrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[(3S)-3-ethylmorpholin-4-yl]-3-(5-methyltetrazol-1-yl)propan-1-one
PubChem CID70756628
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name1-[(3S)-3-ethylmorpholin-4-yl]-3-(5-methyltetrazol-1-yl)propan-1-one
SMILESCC[C@H]1COCCN1C(=O)CCn1nnnc1C
InChIInChI=1S/C11H19N5O2/c1-3-10-8-18-7-6-15(10)11(17)4-5-16-9(2)12-13-14-16/h10H,3-8H2,1-2H3/t10-/m0/s1
InChIKeyXGSJXPIMOGHIGH-JTQLQIEISA-N
XLogP0.01
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-ethylmorpholin-4-yl]-3-(5-methyltetrazol-1-yl)propan-1-one?
The IUPAC name of 1-[(3S)-3-ethylmorpholin-4-yl]-3-(5-methyltetrazol-1-yl)propan-1-one (CID 70756628) is 1-[(3S)-3-ethylmorpholin-4-yl]-3-(5-methyltetrazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[(3S)-3-ethylmorpholin-4-yl]-3-(5-methyltetrazol-1-yl)propan-1-one?
The canonical SMILES for 1-[(3S)-3-ethylmorpholin-4-yl]-3-(5-methyltetrazol-1-yl)propan-1-one is CC[C@H]1COCCN1C(=O)CCn1nnnc1C.
What is the InChIKey of 1-[(3S)-3-ethylmorpholin-4-yl]-3-(5-methyltetrazol-1-yl)propan-1-one?
The InChIKey is XGSJXPIMOGHIGH-JTQLQIEISA-N. The full InChI is InChI=1S/C11H19N5O2/c1-3-10-8-18-7-6-15(10)11(17)4-5-16-9(2)12-13-14-16/h10H,3-8H2,1-2H3/t10-/m0/s1.
What are the key properties of 1-[(3S)-3-ethylmorpholin-4-yl]-3-(5-methyltetrazol-1-yl)propan-1-one?
1-[(3S)-3-ethylmorpholin-4-yl]-3-(5-methyltetrazol-1-yl)propan-1-one has a molecular weight of 253.31 g/mol, XLogP of 0.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-ethylmorpholin-4-yl]-3-(5-methyltetrazol-1-yl)propan-1-one is sourced from PubChem (CID 70756628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).