(2E)-2-fluoro-N'-methyl-N-pyrrolidin-3-ylpenta-2,4-dienimidamide

C10H16FN3 — CID 143883061

IUPAC(2E)-2-fluoro-N'-methyl-N-pyrrolidin-3-ylpenta-2,4-dienimidamide
SMILESC=C/C=C(F)\C(=N/C)NC1CCNC1
InChIInChI=1S/C10H16FN3/c1-3-4-9(11)10(12-2)14-8-5-6-13-7-8/h3-4,8,13H,1,5-7H2,2H3,(H,12,14)/b9-4+
InChIKeySBROCAQGWHGQHK-RUDMXATFSA-N
MW197.26 g/mol
LogP1.01
Rot. Bonds3

About (2E)-2-fluoro-N'-methyl-N-pyrrolidin-3-ylpenta-2,4-dienimidamide

(2E)-2-fluoro-N'-methyl-N-pyrrolidin-3-ylpenta-2,4-dienimidamide (PubChem CID 143883061) has the molecular formula C10H16FN3 and a molecular weight of 197.26 g/mol. Its IUPAC name is (2E)-2-fluoro-N'-methyl-N-pyrrolidin-3-ylpenta-2,4-dienimidamide.

Molecular Properties

Compound Name(2E)-2-fluoro-N'-methyl-N-pyrrolidin-3-ylpenta-2,4-dienimidamide
PubChem CID143883061
Molecular FormulaC10H16FN3
Molecular Weight197.26 g/mol
Exact Mass197.13
IUPAC Name(2E)-2-fluoro-N'-methyl-N-pyrrolidin-3-ylpenta-2,4-dienimidamide
SMILESC=C/C=C(F)\C(=N/C)NC1CCNC1
InChIInChI=1S/C10H16FN3/c1-3-4-9(11)10(12-2)14-8-5-6-13-7-8/h3-4,8,13H,1,5-7H2,2H3,(H,12,14)/b9-4+
InChIKeySBROCAQGWHGQHK-RUDMXATFSA-N
XLogP1.01
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.01
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-(N-methyl-C-prop-1-enylcarbonimidoyl)pyrrolidin-3-amine
CID 123237192
1-(C-but-2-en-2-yl-N-methylcarbonimidoyl)-N-methylpyrrolidin-3-amine
CID 123596120
N'-ethyl-3-methyl-N-pyrrolidin-3-ylbut-2-enimidamide
CID 143551778

Frequently Asked Questions

What is the IUPAC name of (2E)-2-fluoro-N'-methyl-N-pyrrolidin-3-ylpenta-2,4-dienimidamide?
The IUPAC name of (2E)-2-fluoro-N'-methyl-N-pyrrolidin-3-ylpenta-2,4-dienimidamide (CID 143883061) is (2E)-2-fluoro-N'-methyl-N-pyrrolidin-3-ylpenta-2,4-dienimidamide.
What is the SMILES notation for (2E)-2-fluoro-N'-methyl-N-pyrrolidin-3-ylpenta-2,4-dienimidamide?
The canonical SMILES for (2E)-2-fluoro-N'-methyl-N-pyrrolidin-3-ylpenta-2,4-dienimidamide is C=C/C=C(F)\C(=N/C)NC1CCNC1.
What is the InChIKey of (2E)-2-fluoro-N'-methyl-N-pyrrolidin-3-ylpenta-2,4-dienimidamide?
The InChIKey is SBROCAQGWHGQHK-RUDMXATFSA-N. The full InChI is InChI=1S/C10H16FN3/c1-3-4-9(11)10(12-2)14-8-5-6-13-7-8/h3-4,8,13H,1,5-7H2,2H3,(H,12,14)/b9-4+.
What are the key properties of (2E)-2-fluoro-N'-methyl-N-pyrrolidin-3-ylpenta-2,4-dienimidamide?
(2E)-2-fluoro-N'-methyl-N-pyrrolidin-3-ylpenta-2,4-dienimidamide has a molecular weight of 197.26 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-fluoro-N'-methyl-N-pyrrolidin-3-ylpenta-2,4-dienimidamide is sourced from PubChem (CID 143883061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).