2-methyl-N'-[(E)-2-(pyrrolidine-1-carbonyl)pent-1-enyl]propanimidamide

C14H25N3O — CID 155267549

IUPAC2-methyl-N'-[(E)-2-(pyrrolidine-1-carbonyl)pent-1-enyl]propanimidamide
SMILESCCC/C(=C\N=C(\N)C(C)C)C(=O)N1CCCC1
InChIInChI=1S/C14H25N3O/c1-4-7-12(10-16-13(15)11(2)3)14(18)17-8-5-6-9-17/h10-11H,4-9H2,1-3H3,(H2,15,16)/b12-10+
InChIKeyFXBXEPRBEDKUKH-ZRDIBKRKSA-N
MW251.37 g/mol
LogP2.31
Rot. Bonds5

About 2-methyl-N'-[(E)-2-(pyrrolidine-1-carbonyl)pent-1-enyl]propanimidamide

2-methyl-N'-[(E)-2-(pyrrolidine-1-carbonyl)pent-1-enyl]propanimidamide (PubChem CID 155267549) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-methyl-N'-[(E)-2-(pyrrolidine-1-carbonyl)pent-1-enyl]propanimidamide.

Molecular Properties

Compound Name2-methyl-N'-[(E)-2-(pyrrolidine-1-carbonyl)pent-1-enyl]propanimidamide
PubChem CID155267549
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name2-methyl-N'-[(E)-2-(pyrrolidine-1-carbonyl)pent-1-enyl]propanimidamide
SMILESCCC/C(=C\N=C(\N)C(C)C)C(=O)N1CCCC1
InChIInChI=1S/C14H25N3O/c1-4-7-12(10-16-13(15)11(2)3)14(18)17-8-5-6-9-17/h10-11H,4-9H2,1-3H3,(H2,15,16)/b12-10+
InChIKeyFXBXEPRBEDKUKH-ZRDIBKRKSA-N
XLogP2.31
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.31
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-[(E)-2-(pyrrolidine-1-carbonyl)pent-1-enyl]propanimidamide?
The IUPAC name of 2-methyl-N'-[(E)-2-(pyrrolidine-1-carbonyl)pent-1-enyl]propanimidamide (CID 155267549) is 2-methyl-N'-[(E)-2-(pyrrolidine-1-carbonyl)pent-1-enyl]propanimidamide.
What is the SMILES notation for 2-methyl-N'-[(E)-2-(pyrrolidine-1-carbonyl)pent-1-enyl]propanimidamide?
The canonical SMILES for 2-methyl-N'-[(E)-2-(pyrrolidine-1-carbonyl)pent-1-enyl]propanimidamide is CCC/C(=C\N=C(\N)C(C)C)C(=O)N1CCCC1.
What is the InChIKey of 2-methyl-N'-[(E)-2-(pyrrolidine-1-carbonyl)pent-1-enyl]propanimidamide?
The InChIKey is FXBXEPRBEDKUKH-ZRDIBKRKSA-N. The full InChI is InChI=1S/C14H25N3O/c1-4-7-12(10-16-13(15)11(2)3)14(18)17-8-5-6-9-17/h10-11H,4-9H2,1-3H3,(H2,15,16)/b12-10+.
What are the key properties of 2-methyl-N'-[(E)-2-(pyrrolidine-1-carbonyl)pent-1-enyl]propanimidamide?
2-methyl-N'-[(E)-2-(pyrrolidine-1-carbonyl)pent-1-enyl]propanimidamide has a molecular weight of 251.37 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[(E)-2-(pyrrolidine-1-carbonyl)pent-1-enyl]propanimidamide is sourced from PubChem (CID 155267549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).