4-[1-[(2R)-2-methylpyrrolidin-1-yl]ethenyl]benzenecarboximidamide

C14H19N3 — CID 166669543

IUPAC4-[1-[(2R)-2-methylpyrrolidin-1-yl]ethenyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C(=C)N2CCC[C@H]2C)cc1
InChIInChI=1S/C14H19N3/c1-10-4-3-9-17(10)11(2)12-5-7-13(8-6-12)14(15)16/h5-8,10H,2-4,9H2,1H3,(H3,15,16)/t10-/m1/s1
InChIKeyUNOKSCYEJSBGEK-SNVBAGLBSA-N
MW229.33 g/mol
LogP2.43
Rot. Bonds3

About 4-[1-[(2R)-2-methylpyrrolidin-1-yl]ethenyl]benzenecarboximidamide

4-[1-[(2R)-2-methylpyrrolidin-1-yl]ethenyl]benzenecarboximidamide (PubChem CID 166669543) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 4-[1-[(2R)-2-methylpyrrolidin-1-yl]ethenyl]benzenecarboximidamide.

Molecular Properties

Compound Name4-[1-[(2R)-2-methylpyrrolidin-1-yl]ethenyl]benzenecarboximidamide
PubChem CID166669543
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name4-[1-[(2R)-2-methylpyrrolidin-1-yl]ethenyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C(=C)N2CCC[C@H]2C)cc1
InChIInChI=1S/C14H19N3/c1-10-4-3-9-17(10)11(2)12-5-7-13(8-6-12)14(15)16/h5-8,10H,2-4,9H2,1H3,(H3,15,16)/t10-/m1/s1
InChIKeyUNOKSCYEJSBGEK-SNVBAGLBSA-N
XLogP2.43
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.43
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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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2R)-2-methylpyrrolidin-1-yl]ethenyl]benzenecarboximidamide?
The IUPAC name of 4-[1-[(2R)-2-methylpyrrolidin-1-yl]ethenyl]benzenecarboximidamide (CID 166669543) is 4-[1-[(2R)-2-methylpyrrolidin-1-yl]ethenyl]benzenecarboximidamide.
What is the SMILES notation for 4-[1-[(2R)-2-methylpyrrolidin-1-yl]ethenyl]benzenecarboximidamide?
The canonical SMILES for 4-[1-[(2R)-2-methylpyrrolidin-1-yl]ethenyl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(C(=C)N2CCC[C@H]2C)cc1.
What is the InChIKey of 4-[1-[(2R)-2-methylpyrrolidin-1-yl]ethenyl]benzenecarboximidamide?
The InChIKey is UNOKSCYEJSBGEK-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H19N3/c1-10-4-3-9-17(10)11(2)12-5-7-13(8-6-12)14(15)16/h5-8,10H,2-4,9H2,1H3,(H3,15,16)/t10-/m1/s1.
What are the key properties of 4-[1-[(2R)-2-methylpyrrolidin-1-yl]ethenyl]benzenecarboximidamide?
4-[1-[(2R)-2-methylpyrrolidin-1-yl]ethenyl]benzenecarboximidamide has a molecular weight of 229.33 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2R)-2-methylpyrrolidin-1-yl]ethenyl]benzenecarboximidamide is sourced from PubChem (CID 166669543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).