1-[4-[2-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one

C20H23N3O3 — CID 37447954

IUPAC1-[4-[2-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one
SMILESC[C@H]1c2cccn2CCN1C(=O)COc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C20H23N3O3/c1-15-18-4-2-10-21(18)12-13-22(15)20(25)14-26-17-8-6-16(7-9-17)23-11-3-5-19(23)24/h2,4,6-10,15H,3,5,11-14H2,1H3/t15-/m0/s1
InChIKeyZMVVWWJNZXRNKK-HNNXBMFYSA-N
MW353.42 g/mol
LogP2.60
Rot. Bonds4

About 1-[4-[2-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one

1-[4-[2-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one (PubChem CID 37447954) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 1-[4-[2-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[2-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one
PubChem CID37447954
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name1-[4-[2-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one
SMILESC[C@H]1c2cccn2CCN1C(=O)COc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C20H23N3O3/c1-15-18-4-2-10-21(18)12-13-22(15)20(25)14-26-17-8-6-16(7-9-17)23-11-3-5-19(23)24/h2,4,6-10,15H,3,5,11-14H2,1H3/t15-/m0/s1
InChIKeyZMVVWWJNZXRNKK-HNNXBMFYSA-N
XLogP2.60
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[2-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one (CID 37447954) is 1-[4-[2-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[2-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[2-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one is C[C@H]1c2cccn2CCN1C(=O)COc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 1-[4-[2-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one?
The InChIKey is ZMVVWWJNZXRNKK-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-15-18-4-2-10-21(18)12-13-22(15)20(25)14-26-17-8-6-16(7-9-17)23-11-3-5-19(23)24/h2,4,6-10,15H,3,5,11-14H2,1H3/t15-/m0/s1.
What are the key properties of 1-[4-[2-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one?
1-[4-[2-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one has a molecular weight of 353.42 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 37447954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).