2-oxo-1-phenylpyrrolidine-3-carboximidamide

C11H13N3O — CID 140978108

IUPAC2-oxo-1-phenylpyrrolidine-3-carboximidamide
SMILES[H]/N=C(\N)C1CCN(c2ccccc2)C1=O
InChIInChI=1S/C11H13N3O/c12-10(13)9-6-7-14(11(9)15)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H3,12,13)
InChIKeyVPRUFUURAGADJV-UHFFFAOYSA-N
MW203.25 g/mol
LogP0.98
Rot. Bonds2

About 2-oxo-1-phenylpyrrolidine-3-carboximidamide

2-oxo-1-phenylpyrrolidine-3-carboximidamide (PubChem CID 140978108) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 2-oxo-1-phenylpyrrolidine-3-carboximidamide.

Molecular Properties

Compound Name2-oxo-1-phenylpyrrolidine-3-carboximidamide
PubChem CID140978108
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name2-oxo-1-phenylpyrrolidine-3-carboximidamide
SMILES[H]/N=C(\N)C1CCN(c2ccccc2)C1=O
InChIInChI=1S/C11H13N3O/c12-10(13)9-6-7-14(11(9)15)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H3,12,13)
InChIKeyVPRUFUURAGADJV-UHFFFAOYSA-N
XLogP0.98
TPSA70.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-1-phenylpyrrolidin-2-one
CID 157010734
(3R)-2-oxo-1-(4-phenoxyphenyl)pyrrolidine-3-carboxylic acid
CID 42257007
2-oxo-1-phenylpyrrolidine-3-carbohydrazide;2-oxopyrrolidine-3-carbohydrazide
CID 143596613
methyl 2-[methyl-(2-oxo-1-phenylpyrrolidine-3-carbonyl)amino]acetate
CID 45202877
[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]azanium chloride
CID 11806028
3-(4-methoxypiperidine-1-carbonyl)-1-phenylpyrrolidin-2-one
CID 45227938
1-(3-carboxyphenyl)-2-oxopyrrolidine-3-carboxylic acid
CID 82367415
1-(3-chlorophenyl)-2-oxopyrrolidine-3-carboxylic acid
CID 4122939
(3R)-1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxylic acid
CID 40649107
(3R)-N-(2-methoxyethyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide
CID 92750576
N-(2-ethylphenyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide
CID 20964176
1-naphthalen-2-yl-2-oxopyrrolidine-3-carboxylic acid
CID 42853495

Frequently Asked Questions

What is the IUPAC name of 2-oxo-1-phenylpyrrolidine-3-carboximidamide?
The IUPAC name of 2-oxo-1-phenylpyrrolidine-3-carboximidamide (CID 140978108) is 2-oxo-1-phenylpyrrolidine-3-carboximidamide.
What is the SMILES notation for 2-oxo-1-phenylpyrrolidine-3-carboximidamide?
The canonical SMILES for 2-oxo-1-phenylpyrrolidine-3-carboximidamide is [H]/N=C(\N)C1CCN(c2ccccc2)C1=O.
What is the InChIKey of 2-oxo-1-phenylpyrrolidine-3-carboximidamide?
The InChIKey is VPRUFUURAGADJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c12-10(13)9-6-7-14(11(9)15)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H3,12,13).
What are the key properties of 2-oxo-1-phenylpyrrolidine-3-carboximidamide?
2-oxo-1-phenylpyrrolidine-3-carboximidamide has a molecular weight of 203.25 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-phenylpyrrolidine-3-carboximidamide is sourced from PubChem (CID 140978108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).