2-[[(2R,3S)-1-methyl-5-oxo-2-phenylpyrrolidin-3-yl]methyl]-1-phenylguanidine

C19H22N4O — CID 120662626

IUPAC2-[[(2R,3S)-1-methyl-5-oxo-2-phenylpyrrolidin-3-yl]methyl]-1-phenylguanidine
SMILESCN1C(=O)C[C@@H](C/N=C(\N)Nc2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C19H22N4O/c1-23-17(24)12-15(18(23)14-8-4-2-5-9-14)13-21-19(20)22-16-10-6-3-7-11-16/h2-11,15,18H,12-13H2,1H3,(H3,20,21,22)/t15-,18-/m0/s1
InChIKeyXLTYAESRMDALFP-YJBOKZPZSA-N
MW322.41 g/mol
LogP2.63
Rot. Bonds4

About 2-[[(2R,3S)-1-methyl-5-oxo-2-phenylpyrrolidin-3-yl]methyl]-1-phenylguanidine

2-[[(2R,3S)-1-methyl-5-oxo-2-phenylpyrrolidin-3-yl]methyl]-1-phenylguanidine (PubChem CID 120662626) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-[[(2R,3S)-1-methyl-5-oxo-2-phenylpyrrolidin-3-yl]methyl]-1-phenylguanidine.

Molecular Properties

Compound Name2-[[(2R,3S)-1-methyl-5-oxo-2-phenylpyrrolidin-3-yl]methyl]-1-phenylguanidine
PubChem CID120662626
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name2-[[(2R,3S)-1-methyl-5-oxo-2-phenylpyrrolidin-3-yl]methyl]-1-phenylguanidine
SMILESCN1C(=O)C[C@@H](C/N=C(\N)Nc2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C19H22N4O/c1-23-17(24)12-15(18(23)14-8-4-2-5-9-14)13-21-19(20)22-16-10-6-3-7-11-16/h2-11,15,18H,12-13H2,1H3,(H3,20,21,22)/t15-,18-/m0/s1
InChIKeyXLTYAESRMDALFP-YJBOKZPZSA-N
XLogP2.63
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.63
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

2-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]-1-propan-2-ylguanidine
CID 110018170
2-[[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]methyl]-1-phenylguanidine
CID 120603034
1,3-diethyl-2-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]guanidine;hydroiodide
CID 110017679
2-[(2-methylcyclopropyl)methyl]-1-phenylguanidine
CID 115600996
2-[(2-methylcyclohexyl)methyl]-1-phenylguanidine;hydroiodide
CID 110912555
2-[[2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methyl]-1-phenylguanidine;hydroiodide
CID 111456572
2-(cyclopropylmethyl)-1-phenylguanidine
CID 62364047
N-(4-hydroxyphenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide
CID 42651384
(2R,3S)-N-(4-hydroxyphenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide
CID 29131499
1-[2-(furan-2-yl)ethyl]-2-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]-3-prop-2-enylguanidine
CID 110051016
1-phenyl-2-[(2-propan-2-yloxan-3-yl)methyl]guanidine
CID 111800092
ethyl 4-[[(2R,3S)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carbonyl]amino]benzoate
CID 28935183

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R,3S)-1-methyl-5-oxo-2-phenylpyrrolidin-3-yl]methyl]-1-phenylguanidine?
The IUPAC name of 2-[[(2R,3S)-1-methyl-5-oxo-2-phenylpyrrolidin-3-yl]methyl]-1-phenylguanidine (CID 120662626) is 2-[[(2R,3S)-1-methyl-5-oxo-2-phenylpyrrolidin-3-yl]methyl]-1-phenylguanidine.
What is the SMILES notation for 2-[[(2R,3S)-1-methyl-5-oxo-2-phenylpyrrolidin-3-yl]methyl]-1-phenylguanidine?
The canonical SMILES for 2-[[(2R,3S)-1-methyl-5-oxo-2-phenylpyrrolidin-3-yl]methyl]-1-phenylguanidine is CN1C(=O)C[C@@H](C/N=C(\N)Nc2ccccc2)[C@@H]1c1ccccc1.
What is the InChIKey of 2-[[(2R,3S)-1-methyl-5-oxo-2-phenylpyrrolidin-3-yl]methyl]-1-phenylguanidine?
The InChIKey is XLTYAESRMDALFP-YJBOKZPZSA-N. The full InChI is InChI=1S/C19H22N4O/c1-23-17(24)12-15(18(23)14-8-4-2-5-9-14)13-21-19(20)22-16-10-6-3-7-11-16/h2-11,15,18H,12-13H2,1H3,(H3,20,21,22)/t15-,18-/m0/s1.
What are the key properties of 2-[[(2R,3S)-1-methyl-5-oxo-2-phenylpyrrolidin-3-yl]methyl]-1-phenylguanidine?
2-[[(2R,3S)-1-methyl-5-oxo-2-phenylpyrrolidin-3-yl]methyl]-1-phenylguanidine has a molecular weight of 322.41 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R,3S)-1-methyl-5-oxo-2-phenylpyrrolidin-3-yl]methyl]-1-phenylguanidine is sourced from PubChem (CID 120662626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).