2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylideneamino]guanidine

C12H15N5O — CID 168590474

IUPAC2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylideneamino]guanidine
SMILESNC(N)=NN=Cc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C12H15N5O/c13-12(14)16-15-8-9-3-5-10(6-4-9)17-7-1-2-11(17)18/h3-6,8H,1-2,7H2,(H4,13,14,16)
InChIKeySMXRWBJJGWJVFF-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.42
Rot. Bonds3

About 2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylideneamino]guanidine

2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylideneamino]guanidine (PubChem CID 168590474) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylideneamino]guanidine
PubChem CID168590474
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylideneamino]guanidine
SMILESNC(N)=NN=Cc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C12H15N5O/c13-12(14)16-15-8-9-3-5-10(6-4-9)17-7-1-2-11(17)18/h3-6,8H,1-2,7H2,(H4,13,14,16)
InChIKeySMXRWBJJGWJVFF-UHFFFAOYSA-N
XLogP0.42
TPSA97.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[[4-(2-oxopyrrolidin-1-yl)phenyl]methylideneamino]thiourea
CID 168534871
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine;hydroiodide
CID 110893074
1-(4-ethenylphenyl)azepan-2-one
CID 155576688
1-(4-aminophenyl)piperidin-2-one
CID 11458178
4-[(E)-3-oxo-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-1-enyl]benzoic acid
CID 7571772
(E)-3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-enoic acid
CID 18923208
1-(4-aminophenyl)azepan-2-one
CID 58962781
ethane;1-(4-methylphenyl)pyrrolidin-2-one
CID 143607645
4-(carbamoylamino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 26127679
5-oxo-1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-carboxamide
CID 168697848
1-[4-(1-aminoethyl)phenyl]pyrrolidin-2-one
CID 50987521

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylideneamino]guanidine?
The IUPAC name of 2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylideneamino]guanidine (CID 168590474) is 2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylideneamino]guanidine.
What is the SMILES notation for 2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylideneamino]guanidine?
The canonical SMILES for 2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylideneamino]guanidine is NC(N)=NN=Cc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylideneamino]guanidine?
The InChIKey is SMXRWBJJGWJVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c13-12(14)16-15-8-9-3-5-10(6-4-9)17-7-1-2-11(17)18/h3-6,8H,1-2,7H2,(H4,13,14,16).
What are the key properties of 2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylideneamino]guanidine?
2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylideneamino]guanidine has a molecular weight of 245.29 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylideneamino]guanidine is sourced from PubChem (CID 168590474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).