1-[(3S,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone

C13H22N6O2 — CID 97026542

IUPAC1-[(3S,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone
SMILESCC[C@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1N1CCOCC1
InChIInChI=1S/C13H22N6O2/c1-2-11-7-18(13(20)9-19-10-14-15-16-19)8-12(11)17-3-5-21-6-4-17/h10-12H,2-9H2,1H3/t11-,12-/m0/s1
InChIKeyMZRBZMDVXHGMFH-RYUDHWBXSA-N
MW294.36 g/mol
LogP-0.76
Rot. Bonds4

About 1-[(3S,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone

1-[(3S,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone (PubChem CID 97026542) has the molecular formula C13H22N6O2 and a molecular weight of 294.36 g/mol. Its IUPAC name is 1-[(3S,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[(3S,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone
PubChem CID97026542
Molecular FormulaC13H22N6O2
Molecular Weight294.36 g/mol
Exact Mass294.18
IUPAC Name1-[(3S,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone
SMILESCC[C@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1N1CCOCC1
InChIInChI=1S/C13H22N6O2/c1-2-11-7-18(13(20)9-19-10-14-15-16-19)8-12(11)17-3-5-21-6-4-17/h10-12H,2-9H2,1H3/t11-,12-/m0/s1
InChIKeyMZRBZMDVXHGMFH-RYUDHWBXSA-N
XLogP-0.76
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 5-0.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
CID 97026533
1-(4-amino-3-ethylpiperidin-1-yl)-2-(tetrazol-1-yl)ethanone
CID 81458198
1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-3-imidazol-1-ylpropan-1-one
CID 71927864
1-[(3R,4S)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-4-imidazol-1-ylbutan-1-one
CID 97026411
1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-propan-2-ylsulfonylethanone
CID 71872134
1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 154737500
1-[(3R)-3-methylmorpholin-4-yl]-2-(tetrazol-1-yl)ethanone
CID 94095786
(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
CID 71871964
6-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidine-1-carbonyl]-2-methylpyridazin-3-one
CID 97026677
(1-ethyl-3,5-dimethylpyrazol-4-yl)-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 97026569
[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-4-yl)methanone
CID 97026725
1-[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-2-(tetrazol-1-yl)ethanone
CID 56878819

Frequently Asked Questions

What is the IUPAC name of 1-[(3S,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone?
The IUPAC name of 1-[(3S,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone (CID 97026542) is 1-[(3S,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone.
What is the SMILES notation for 1-[(3S,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone?
The canonical SMILES for 1-[(3S,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone is CC[C@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1N1CCOCC1.
What is the InChIKey of 1-[(3S,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone?
The InChIKey is MZRBZMDVXHGMFH-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H22N6O2/c1-2-11-7-18(13(20)9-19-10-14-15-16-19)8-12(11)17-3-5-21-6-4-17/h10-12H,2-9H2,1H3/t11-,12-/m0/s1.
What are the key properties of 1-[(3S,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone?
1-[(3S,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone has a molecular weight of 294.36 g/mol, XLogP of -0.76, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone is sourced from PubChem (CID 97026542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).