1-(diaminomethylidene)-2-[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]guanidine

C13H18N6O — CID 168601988

IUPAC1-(diaminomethylidene)-2-[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]guanidine
SMILESCc1ccc(N2CCCC2=O)cc1/N=C(\N)N=C(N)N
InChIInChI=1S/C13H18N6O/c1-8-4-5-9(19-6-2-3-11(19)20)7-10(8)17-13(16)18-12(14)15/h4-5,7H,2-3,6H2,1H3,(H6,14,15,16,17,18)
InChIKeyWTPOIXPOIMKOMF-UHFFFAOYSA-N
MW274.33 g/mol
LogP0.34
Rot. Bonds2

About 1-(diaminomethylidene)-2-[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]guanidine

1-(diaminomethylidene)-2-[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]guanidine (PubChem CID 168601988) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]guanidine
PubChem CID168601988
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name1-(diaminomethylidene)-2-[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]guanidine
SMILESCc1ccc(N2CCCC2=O)cc1/N=C(\N)N=C(N)N
InChIInChI=1S/C13H18N6O/c1-8-4-5-9(19-6-2-3-11(19)20)7-10(8)17-13(16)18-12(14)15/h4-5,7H,2-3,6H2,1H3,(H6,14,15,16,17,18)
InChIKeyWTPOIXPOIMKOMF-UHFFFAOYSA-N
XLogP0.34
TPSA123.09 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 50.34
H-Bond Donors ≤ 53
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

1-(3-azido-4-methylphenyl)pyrrolidin-2-one
CID 169324833
1-(3-iodo-4-methylphenyl)pyrrolidin-2-one
CID 70646399
1-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 70195701
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
ethane;1-(4-methylphenyl)pyrrolidin-2-one
CID 143607645
2-chloro-N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]ethanimidamide
CID 169367009
2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine;hydroiodide
CID 110893074
1-(3,4-dimethylphenyl)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine
CID 111036508
1-[4-(1-aminoethyl)phenyl]pyrrolidin-2-one
CID 50987521
(2,3,6-trimethylphenyl) 2-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonate
CID 60591526
[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]thiourea
CID 169357597
1-(3,5-dimethylphenyl)pyrrolidin-2-one
CID 847897

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]guanidine (CID 168601988) is 1-(diaminomethylidene)-2-[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]guanidine is Cc1ccc(N2CCCC2=O)cc1/N=C(\N)N=C(N)N.
What is the InChIKey of 1-(diaminomethylidene)-2-[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]guanidine?
The InChIKey is WTPOIXPOIMKOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-8-4-5-9(19-6-2-3-11(19)20)7-10(8)17-13(16)18-12(14)15/h4-5,7H,2-3,6H2,1H3,(H6,14,15,16,17,18).
What are the key properties of 1-(diaminomethylidene)-2-[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]guanidine?
1-(diaminomethylidene)-2-[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]guanidine has a molecular weight of 274.33 g/mol, XLogP of 0.34, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]guanidine is sourced from PubChem (CID 168601988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).