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

C12H16FN3O — CID 154989030

IUPAC1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-cyclopropylpyrrole-3-carboxamide
SMILESNC/C(=C\F)Cn1ccc(C(=O)NC2CC2)c1
InChIInChI=1S/C12H16FN3O/c13-5-9(6-14)7-16-4-3-10(8-16)12(17)15-11-1-2-11/h3-5,8,11H,1-2,6-7,14H2,(H,15,17)/b9-5+
InChIKeyYMPAXHNOZVZSDR-WEVVVXLNSA-N
MW237.28 g/mol
LogP1.19
Rot. Bonds5

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

1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-cyclopropylpyrrole-3-carboxamide (PubChem CID 154989030) has the molecular formula C12H16FN3O and a molecular weight of 237.28 g/mol. Its IUPAC name is 1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-cyclopropylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-cyclopropylpyrrole-3-carboxamide
PubChem CID154989030
Molecular FormulaC12H16FN3O
Molecular Weight237.28 g/mol
Exact Mass237.13
IUPAC Name1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-cyclopropylpyrrole-3-carboxamide
SMILESNC/C(=C\F)Cn1ccc(C(=O)NC2CC2)c1
InChIInChI=1S/C12H16FN3O/c13-5-9(6-14)7-16-4-3-10(8-16)12(17)15-11-1-2-11/h3-5,8,11H,1-2,6-7,14H2,(H,15,17)/b9-5+
InChIKeyYMPAXHNOZVZSDR-WEVVVXLNSA-N
XLogP1.19
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.19
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-cyclopropylpyrrole-3-carboxamide?
The IUPAC name of 1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-cyclopropylpyrrole-3-carboxamide (CID 154989030) is 1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-cyclopropylpyrrole-3-carboxamide.
What is the SMILES notation for 1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-cyclopropylpyrrole-3-carboxamide?
The canonical SMILES for 1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-cyclopropylpyrrole-3-carboxamide is NC/C(=C\F)Cn1ccc(C(=O)NC2CC2)c1.
What is the InChIKey of 1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-cyclopropylpyrrole-3-carboxamide?
The InChIKey is YMPAXHNOZVZSDR-WEVVVXLNSA-N. The full InChI is InChI=1S/C12H16FN3O/c13-5-9(6-14)7-16-4-3-10(8-16)12(17)15-11-1-2-11/h3-5,8,11H,1-2,6-7,14H2,(H,15,17)/b9-5+.
What are the key properties of 1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-cyclopropylpyrrole-3-carboxamide?
1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-cyclopropylpyrrole-3-carboxamide has a molecular weight of 237.28 g/mol, XLogP of 1.19, 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-cyclopropylpyrrole-3-carboxamide is sourced from PubChem (CID 154989030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).