5-(benzotriazol-1-yl)-1-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]pyrrolidin-2-one

C19H20N4O2 — CID 10830682

IUPAC5-(benzotriazol-1-yl)-1-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]pyrrolidin-2-one
SMILESC[C@H]([C@H](O)c1ccccc1)N1C(=O)CCC1n1nnc2ccccc21
InChIInChI=1S/C19H20N4O2/c1-13(19(25)14-7-3-2-4-8-14)22-17(11-12-18(22)24)23-16-10-6-5-9-15(16)20-21-23/h2-10,13,17,19,25H,11-12H2,1H3/t13-,17?,19+/m1/s1
InChIKeyNTWQUZQJIUZMAJ-HMUHEBOZSA-N
MW336.40 g/mol
LogP2.67
Rot. Bonds4

About 5-(benzotriazol-1-yl)-1-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]pyrrolidin-2-one

5-(benzotriazol-1-yl)-1-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]pyrrolidin-2-one (PubChem CID 10830682) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 5-(benzotriazol-1-yl)-1-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-(benzotriazol-1-yl)-1-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]pyrrolidin-2-one
PubChem CID10830682
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name5-(benzotriazol-1-yl)-1-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]pyrrolidin-2-one
SMILESC[C@H]([C@H](O)c1ccccc1)N1C(=O)CCC1n1nnc2ccccc21
InChIInChI=1S/C19H20N4O2/c1-13(19(25)14-7-3-2-4-8-14)22-17(11-12-18(22)24)23-16-10-6-5-9-15(16)20-21-23/h2-10,13,17,19,25H,11-12H2,1H3/t13-,17?,19+/m1/s1
InChIKeyNTWQUZQJIUZMAJ-HMUHEBOZSA-N
XLogP2.67
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(benzotriazol-1-yl)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-one
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3-[1-(2-phenylpropanoyl)piperidin-4-yl]-1,2,3-benzotriazin-4-one
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[(2S)-2-(dibenzylamino)propyl] 4-(benzotriazol-1-yl)piperidine-1-carboxylate
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CID 3771759
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(3S)-5-(benzotriazol-1-yl)-1-(4-methylphenyl)-3-(2-methylpropyl)-3,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridin-2-one
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N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]cyclopropanecarboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-(benzotriazol-1-yl)-1-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]pyrrolidin-2-one?
The IUPAC name of 5-(benzotriazol-1-yl)-1-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]pyrrolidin-2-one (CID 10830682) is 5-(benzotriazol-1-yl)-1-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 5-(benzotriazol-1-yl)-1-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]pyrrolidin-2-one?
The canonical SMILES for 5-(benzotriazol-1-yl)-1-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]pyrrolidin-2-one is C[C@H]([C@H](O)c1ccccc1)N1C(=O)CCC1n1nnc2ccccc21.
What is the InChIKey of 5-(benzotriazol-1-yl)-1-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]pyrrolidin-2-one?
The InChIKey is NTWQUZQJIUZMAJ-HMUHEBOZSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-13(19(25)14-7-3-2-4-8-14)22-17(11-12-18(22)24)23-16-10-6-5-9-15(16)20-21-23/h2-10,13,17,19,25H,11-12H2,1H3/t13-,17?,19+/m1/s1.
What are the key properties of 5-(benzotriazol-1-yl)-1-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]pyrrolidin-2-one?
5-(benzotriazol-1-yl)-1-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]pyrrolidin-2-one has a molecular weight of 336.40 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzotriazol-1-yl)-1-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 10830682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).