1-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]-1,4-diazepan-5-one

C17H23N3O2 — CID 94537935

IUPAC1-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]-1,4-diazepan-5-one
SMILESO=C1CCN([C@@H](C(=O)N2CCCC2)c2ccccc2)CCN1
InChIInChI=1S/C17H23N3O2/c21-15-8-12-19(13-9-18-15)16(14-6-2-1-3-7-14)17(22)20-10-4-5-11-20/h1-3,6-7,16H,4-5,8-13H2,(H,18,21)/t16-/m1/s1
InChIKeyLCBGBCBDUICWTM-MRXNPFEDSA-N
MW301.39 g/mol
LogP1.17
Rot. Bonds3

About 1-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]-1,4-diazepan-5-one

1-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]-1,4-diazepan-5-one (PubChem CID 94537935) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]-1,4-diazepan-5-one.

Molecular Properties

Compound Name1-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]-1,4-diazepan-5-one
PubChem CID94537935
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name1-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]-1,4-diazepan-5-one
SMILESO=C1CCN([C@@H](C(=O)N2CCCC2)c2ccccc2)CCN1
InChIInChI=1S/C17H23N3O2/c21-15-8-12-19(13-9-18-15)16(14-6-2-1-3-7-14)17(22)20-10-4-5-11-20/h1-3,6-7,16H,4-5,8-13H2,(H,18,21)/t16-/m1/s1
InChIKeyLCBGBCBDUICWTM-MRXNPFEDSA-N
XLogP1.17
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]-1,4-diazepan-5-one?
The IUPAC name of 1-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]-1,4-diazepan-5-one (CID 94537935) is 1-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]-1,4-diazepan-5-one.
What is the SMILES notation for 1-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]-1,4-diazepan-5-one?
The canonical SMILES for 1-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]-1,4-diazepan-5-one is O=C1CCN([C@@H](C(=O)N2CCCC2)c2ccccc2)CCN1.
What is the InChIKey of 1-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]-1,4-diazepan-5-one?
The InChIKey is LCBGBCBDUICWTM-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H23N3O2/c21-15-8-12-19(13-9-18-15)16(14-6-2-1-3-7-14)17(22)20-10-4-5-11-20/h1-3,6-7,16H,4-5,8-13H2,(H,18,21)/t16-/m1/s1.
What are the key properties of 1-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]-1,4-diazepan-5-one?
1-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]-1,4-diazepan-5-one has a molecular weight of 301.39 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]-1,4-diazepan-5-one is sourced from PubChem (CID 94537935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).