1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-cyclopentylpyrrole-3-carboxamide

C14H20FN3O — CID 154989033

IUPAC1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-cyclopentylpyrrole-3-carboxamide
SMILESNC/C(=C\F)Cn1ccc(C(=O)NC2CCCC2)c1
InChIInChI=1S/C14H20FN3O/c15-7-11(8-16)9-18-6-5-12(10-18)14(19)17-13-3-1-2-4-13/h5-7,10,13H,1-4,8-9,16H2,(H,17,19)/b11-7+
InChIKeyKXNKNRRHQYIAMU-YRNVUSSQSA-N
MW265.33 g/mol
LogP1.97
Rot. Bonds5

About 1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-cyclopentylpyrrole-3-carboxamide

1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-cyclopentylpyrrole-3-carboxamide (PubChem CID 154989033) has the molecular formula C14H20FN3O and a molecular weight of 265.33 g/mol. Its IUPAC name is 1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-cyclopentylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-cyclopentylpyrrole-3-carboxamide
PubChem CID154989033
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC Name1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-cyclopentylpyrrole-3-carboxamide
SMILESNC/C(=C\F)Cn1ccc(C(=O)NC2CCCC2)c1
InChIInChI=1S/C14H20FN3O/c15-7-11(8-16)9-18-6-5-12(10-18)14(19)17-13-3-1-2-4-13/h5-7,10,13H,1-4,8-9,16H2,(H,17,19)/b11-7+
InChIKeyKXNKNRRHQYIAMU-YRNVUSSQSA-N
XLogP1.97
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-cyclopentylpyrrole-3-carboxamide?
The IUPAC name of 1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-cyclopentylpyrrole-3-carboxamide (CID 154989033) is 1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-cyclopentylpyrrole-3-carboxamide.
What is the SMILES notation for 1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-cyclopentylpyrrole-3-carboxamide?
The canonical SMILES for 1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-cyclopentylpyrrole-3-carboxamide is NC/C(=C\F)Cn1ccc(C(=O)NC2CCCC2)c1.
What is the InChIKey of 1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-cyclopentylpyrrole-3-carboxamide?
The InChIKey is KXNKNRRHQYIAMU-YRNVUSSQSA-N. The full InChI is InChI=1S/C14H20FN3O/c15-7-11(8-16)9-18-6-5-12(10-18)14(19)17-13-3-1-2-4-13/h5-7,10,13H,1-4,8-9,16H2,(H,17,19)/b11-7+.
What are the key properties of 1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-cyclopentylpyrrole-3-carboxamide?
1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-cyclopentylpyrrole-3-carboxamide has a molecular weight of 265.33 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-cyclopentylpyrrole-3-carboxamide is sourced from PubChem (CID 154989033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).