1-[3-[(1S)-1-phenylethyl]imidazole-4-carbonyl]pyrrolidin-2-one

C16H17N3O2 — CID 770218

IUPAC1-[3-[(1S)-1-phenylethyl]imidazole-4-carbonyl]pyrrolidin-2-one
SMILESC[C@@H](c1ccccc1)n1cncc1C(=O)N1CCCC1=O
InChIInChI=1S/C16H17N3O2/c1-12(13-6-3-2-4-7-13)19-11-17-10-14(19)16(21)18-9-5-8-15(18)20/h2-4,6-7,10-12H,5,8-9H2,1H3/t12-/m0/s1
InChIKeyVGUIYJADPVDACD-LBPRGKRZSA-N
MW283.33 g/mol
LogP2.26
Rot. Bonds3

About 1-[3-[(1S)-1-phenylethyl]imidazole-4-carbonyl]pyrrolidin-2-one

1-[3-[(1S)-1-phenylethyl]imidazole-4-carbonyl]pyrrolidin-2-one (PubChem CID 770218) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-[3-[(1S)-1-phenylethyl]imidazole-4-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[(1S)-1-phenylethyl]imidazole-4-carbonyl]pyrrolidin-2-one
PubChem CID770218
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name1-[3-[(1S)-1-phenylethyl]imidazole-4-carbonyl]pyrrolidin-2-one
SMILESC[C@@H](c1ccccc1)n1cncc1C(=O)N1CCCC1=O
InChIInChI=1S/C16H17N3O2/c1-12(13-6-3-2-4-7-13)19-11-17-10-14(19)16(21)18-9-5-8-15(18)20/h2-4,6-7,10-12H,5,8-9H2,1H3/t12-/m0/s1
InChIKeyVGUIYJADPVDACD-LBPRGKRZSA-N
XLogP2.26
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

CID 44156901
CID 44156901
CID 71288686
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CID 71288703
CID 71288703
CID 155669602
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CID 2773239
CID 2773239
CID 645860
CID 645860
CID 797199
CID 797199
CID 9806118
CID 9806118
CID 9823857
CID 9823857
CID 9824630
CID 9824630
CID 9848397
CID 9848397
CID 9914569
CID 9914569

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(1S)-1-phenylethyl]imidazole-4-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[(1S)-1-phenylethyl]imidazole-4-carbonyl]pyrrolidin-2-one (CID 770218) is 1-[3-[(1S)-1-phenylethyl]imidazole-4-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[(1S)-1-phenylethyl]imidazole-4-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[(1S)-1-phenylethyl]imidazole-4-carbonyl]pyrrolidin-2-one is C[C@@H](c1ccccc1)n1cncc1C(=O)N1CCCC1=O.
What is the InChIKey of 1-[3-[(1S)-1-phenylethyl]imidazole-4-carbonyl]pyrrolidin-2-one?
The InChIKey is VGUIYJADPVDACD-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-12(13-6-3-2-4-7-13)19-11-17-10-14(19)16(21)18-9-5-8-15(18)20/h2-4,6-7,10-12H,5,8-9H2,1H3/t12-/m0/s1.
What are the key properties of 1-[3-[(1S)-1-phenylethyl]imidazole-4-carbonyl]pyrrolidin-2-one?
1-[3-[(1S)-1-phenylethyl]imidazole-4-carbonyl]pyrrolidin-2-one has a molecular weight of 283.33 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(1S)-1-phenylethyl]imidazole-4-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 770218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).