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

C11H16FN3O — CID 154637350

IUPAC1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-ethylpyrrole-3-carboxamide
SMILESCCNC(=O)c1ccn(C/C(=C/F)CN)c1
InChIInChI=1S/C11H16FN3O/c1-2-14-11(16)10-3-4-15(8-10)7-9(5-12)6-13/h3-5,8H,2,6-7,13H2,1H3,(H,14,16)/b9-5+
InChIKeyGOXPLCYLJZAXLV-WEVVVXLNSA-N
MW225.27 g/mol
LogP1.05
Rot. Bonds5

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

1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-ethylpyrrole-3-carboxamide (PubChem CID 154637350) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is 1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-ethylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-ethylpyrrole-3-carboxamide
PubChem CID154637350
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-ethylpyrrole-3-carboxamide
SMILESCCNC(=O)c1ccn(C/C(=C/F)CN)c1
InChIInChI=1S/C11H16FN3O/c1-2-14-11(16)10-3-4-15(8-10)7-9(5-12)6-13/h3-5,8H,2,6-7,13H2,1H3,(H,14,16)/b9-5+
InChIKeyGOXPLCYLJZAXLV-WEVVVXLNSA-N
XLogP1.05
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl-[(E)-2-[[3-(tert-butylcarbamoyl)pyrrol-1-yl]methyl]-3-fluoroprop-2-enyl]carbamic acid
CID 166783942
CID 154667978
CID 154667978
1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-tert-butylpyrazole-3-carboxamide
CID 154637391
ethyl 2-(3-propanoylpyrrol-1-yl)acetate
CID 79098187
2-(3-acetylpyrrol-1-yl)-N-propylacetamide
CID 79107025
N-ethylbenzamide
CID 160772566
1-(1-cyanocyclopropyl)-N-ethylpyrrole-3-carboxamide
CID 154669967
N-ethylbenzamide;hydrochloride
CID 57444995
4-(aminomethyl)-N-ethyl-3-fluorobenzamide;hydrochloride
CID 118377100
1-(1-propylpyrrol-3-yl)ethanone
CID 15439782
1-methyl-N-(2-oxoethyl)pyrrole-3-carboxamide
CID 154668563
1-[1-(2,3-dichloroprop-2-enyl)pyrrol-3-yl]propan-1-one
CID 79172884

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-ethylpyrrole-3-carboxamide?
The IUPAC name of 1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-ethylpyrrole-3-carboxamide (CID 154637350) is 1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-ethylpyrrole-3-carboxamide.
What is the SMILES notation for 1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-ethylpyrrole-3-carboxamide?
The canonical SMILES for 1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-ethylpyrrole-3-carboxamide is CCNC(=O)c1ccn(C/C(=C/F)CN)c1.
What is the InChIKey of 1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-ethylpyrrole-3-carboxamide?
The InChIKey is GOXPLCYLJZAXLV-WEVVVXLNSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-2-14-11(16)10-3-4-15(8-10)7-9(5-12)6-13/h3-5,8H,2,6-7,13H2,1H3,(H,14,16)/b9-5+.
What are the key properties of 1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-ethylpyrrole-3-carboxamide?
1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-ethylpyrrole-3-carboxamide has a molecular weight of 225.27 g/mol, XLogP of 1.05, 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-ethylpyrrole-3-carboxamide is sourced from PubChem (CID 154637350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).