N'-(1-methyl-2-oxopyrrolidin-3-yl)propanimidamide

C8H15N3O — CID 106259274

IUPACN'-(1-methyl-2-oxopyrrolidin-3-yl)propanimidamide
SMILESCC/C(N)=N\C1CCN(C)C1=O
InChIInChI=1S/C8H15N3O/c1-3-7(9)10-6-4-5-11(2)8(6)12/h6H,3-5H2,1-2H3,(H2,9,10)
InChIKeyPQUADXBIXQAGIQ-UHFFFAOYSA-N
MW169.23 g/mol
LogP-0.02
Rot. Bonds2

About N'-(1-methyl-2-oxopyrrolidin-3-yl)propanimidamide

N'-(1-methyl-2-oxopyrrolidin-3-yl)propanimidamide (PubChem CID 106259274) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is N'-(1-methyl-2-oxopyrrolidin-3-yl)propanimidamide.

Molecular Properties

Compound NameN'-(1-methyl-2-oxopyrrolidin-3-yl)propanimidamide
PubChem CID106259274
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC NameN'-(1-methyl-2-oxopyrrolidin-3-yl)propanimidamide
SMILESCC/C(N)=N\C1CCN(C)C1=O
InChIInChI=1S/C8H15N3O/c1-3-7(9)10-6-4-5-11(2)8(6)12/h6H,3-5H2,1-2H3,(H2,9,10)
InChIKeyPQUADXBIXQAGIQ-UHFFFAOYSA-N
XLogP-0.02
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
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-cyclopropyl-2-(1-methyl-2-oxopyrrolidin-3-yl)guanidine
CID 106257207
N'-(1-methyl-5-oxopyrrolidin-3-yl)propanimidamide
CID 130585561
2-(1-methyl-2-oxopyrrolidin-3-yl)acetamide
CID 68993926
3-amino-1-methylpyrrolidin-2-one;hydrochloride
CID 67280315
N'-(2-methylcyclohexyl)propanimidamide
CID 63178869
1-methyl-3-(4-propanoylpiperazin-1-yl)pyrrolidin-2-one
CID 91925816
1-methyl-3-(2-methylidenebutylamino)pyrrolidin-2-one
CID 106256749
N,N-diethyl-1-methyl-2-oxopyrrolidine-3-carboxamide
CID 67938930
5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pentanamide
CID 106237309
3-amino-N-(1-methyl-2-oxopyrrolidin-3-yl)-3-sulfanylidenepropanamide
CID 106256271
1-methyl-3-phosphanylpyrrolidin-2-one
CID 90168334
1,3-dimethylpyrrolidin-2-one;ethane
CID 142056309

Frequently Asked Questions

What is the IUPAC name of N'-(1-methyl-2-oxopyrrolidin-3-yl)propanimidamide?
The IUPAC name of N'-(1-methyl-2-oxopyrrolidin-3-yl)propanimidamide (CID 106259274) is N'-(1-methyl-2-oxopyrrolidin-3-yl)propanimidamide.
What is the SMILES notation for N'-(1-methyl-2-oxopyrrolidin-3-yl)propanimidamide?
The canonical SMILES for N'-(1-methyl-2-oxopyrrolidin-3-yl)propanimidamide is CC/C(N)=N\C1CCN(C)C1=O.
What is the InChIKey of N'-(1-methyl-2-oxopyrrolidin-3-yl)propanimidamide?
The InChIKey is PQUADXBIXQAGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-3-7(9)10-6-4-5-11(2)8(6)12/h6H,3-5H2,1-2H3,(H2,9,10).
What are the key properties of N'-(1-methyl-2-oxopyrrolidin-3-yl)propanimidamide?
N'-(1-methyl-2-oxopyrrolidin-3-yl)propanimidamide has a molecular weight of 169.23 g/mol, XLogP of -0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-methyl-2-oxopyrrolidin-3-yl)propanimidamide is sourced from PubChem (CID 106259274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).