3-(benzotriazol-1-yl)-1-[(3S)-3-(2-oxo-2-pyrrolidin-1-ylethyl)morpholin-4-yl]propan-1-one

C19H25N5O3 — CID 95880632

IUPAC3-(benzotriazol-1-yl)-1-[(3S)-3-(2-oxo-2-pyrrolidin-1-ylethyl)morpholin-4-yl]propan-1-one
SMILESO=C(C[C@H]1COCCN1C(=O)CCn1nnc2ccccc21)N1CCCC1
InChIInChI=1S/C19H25N5O3/c25-18(7-10-24-17-6-2-1-5-16(17)20-21-24)23-11-12-27-14-15(23)13-19(26)22-8-3-4-9-22/h1-2,5-6,15H,3-4,7-14H2/t15-/m0/s1
InChIKeyHVYFVORGMUYKCA-HNNXBMFYSA-N
MW371.44 g/mol
LogP1.06
Rot. Bonds5

About 3-(benzotriazol-1-yl)-1-[(3S)-3-(2-oxo-2-pyrrolidin-1-ylethyl)morpholin-4-yl]propan-1-one

3-(benzotriazol-1-yl)-1-[(3S)-3-(2-oxo-2-pyrrolidin-1-ylethyl)morpholin-4-yl]propan-1-one (PubChem CID 95880632) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 3-(benzotriazol-1-yl)-1-[(3S)-3-(2-oxo-2-pyrrolidin-1-ylethyl)morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-(benzotriazol-1-yl)-1-[(3S)-3-(2-oxo-2-pyrrolidin-1-ylethyl)morpholin-4-yl]propan-1-one
PubChem CID95880632
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Name3-(benzotriazol-1-yl)-1-[(3S)-3-(2-oxo-2-pyrrolidin-1-ylethyl)morpholin-4-yl]propan-1-one
SMILESO=C(C[C@H]1COCCN1C(=O)CCn1nnc2ccccc21)N1CCCC1
InChIInChI=1S/C19H25N5O3/c25-18(7-10-24-17-6-2-1-5-16(17)20-21-24)23-11-12-27-14-15(23)13-19(26)22-8-3-4-9-22/h1-2,5-6,15H,3-4,7-14H2/t15-/m0/s1
InChIKeyHVYFVORGMUYKCA-HNNXBMFYSA-N
XLogP1.06
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(benzotriazol-1-yl)-1-[(3S)-3-(2-oxo-2-pyrrolidin-1-ylethyl)morpholin-4-yl]propan-1-one?
The IUPAC name of 3-(benzotriazol-1-yl)-1-[(3S)-3-(2-oxo-2-pyrrolidin-1-ylethyl)morpholin-4-yl]propan-1-one (CID 95880632) is 3-(benzotriazol-1-yl)-1-[(3S)-3-(2-oxo-2-pyrrolidin-1-ylethyl)morpholin-4-yl]propan-1-one.
What is the SMILES notation for 3-(benzotriazol-1-yl)-1-[(3S)-3-(2-oxo-2-pyrrolidin-1-ylethyl)morpholin-4-yl]propan-1-one?
The canonical SMILES for 3-(benzotriazol-1-yl)-1-[(3S)-3-(2-oxo-2-pyrrolidin-1-ylethyl)morpholin-4-yl]propan-1-one is O=C(C[C@H]1COCCN1C(=O)CCn1nnc2ccccc21)N1CCCC1.
What is the InChIKey of 3-(benzotriazol-1-yl)-1-[(3S)-3-(2-oxo-2-pyrrolidin-1-ylethyl)morpholin-4-yl]propan-1-one?
The InChIKey is HVYFVORGMUYKCA-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H25N5O3/c25-18(7-10-24-17-6-2-1-5-16(17)20-21-24)23-11-12-27-14-15(23)13-19(26)22-8-3-4-9-22/h1-2,5-6,15H,3-4,7-14H2/t15-/m0/s1.
What are the key properties of 3-(benzotriazol-1-yl)-1-[(3S)-3-(2-oxo-2-pyrrolidin-1-ylethyl)morpholin-4-yl]propan-1-one?
3-(benzotriazol-1-yl)-1-[(3S)-3-(2-oxo-2-pyrrolidin-1-ylethyl)morpholin-4-yl]propan-1-one has a molecular weight of 371.44 g/mol, XLogP of 1.06, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzotriazol-1-yl)-1-[(3S)-3-(2-oxo-2-pyrrolidin-1-ylethyl)morpholin-4-yl]propan-1-one is sourced from PubChem (CID 95880632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).