2-[3-(aminomethyl)pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

C9H12F3N3O — CID 66409062

IUPAC2-[3-(aminomethyl)pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESNCc1ccn(CC(=O)NCC(F)(F)F)c1
InChIInChI=1S/C9H12F3N3O/c10-9(11,12)6-14-8(16)5-15-2-1-7(3-13)4-15/h1-2,4H,3,5-6,13H2,(H,14,16)
InChIKeyYGUPBKYJIRTXGZ-UHFFFAOYSA-N
MW235.21 g/mol
LogP0.63
Rot. Bonds4

About 2-[3-(aminomethyl)pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[3-(aminomethyl)pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 66409062) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is 2-[3-(aminomethyl)pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID66409062
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC Name2-[3-(aminomethyl)pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESNCc1ccn(CC(=O)NCC(F)(F)F)c1
InChIInChI=1S/C9H12F3N3O/c10-9(11,12)6-14-8(16)5-15-2-1-7(3-13)4-15/h1-2,4H,3,5-6,13H2,(H,14,16)
InChIKeyYGUPBKYJIRTXGZ-UHFFFAOYSA-N
XLogP0.63
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-2-(1H-pyrrol-1-yl)acetamide
CID 3239634
3-methyl-N-[(1-methylpyrrol-3-yl)methyl]-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 75394161
1H-Pyrrole-1-acetamide
CID 19973177
N-(3-(1H-pyrrol-1-yl)propyl)acetamide
CID 57561805
2-[methyl(propan-2-yl)amino]-N-(2-pyrrol-1-ylethyl)acetamide
CID 71980029
1-[(1-Amino-3-pyrrol-1-ylpropan-2-yl)amino]-5,5,5-trifluoropent-3-en-2-one
CID 67842886
2,2,2-trifluoro-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 106385167
2,2-difluoroethyl(1H-pyrrol-3-ylmethyl)carbamic acid
CID 132088667
N-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethyl]propan-2-amine
CID 137430400
(2R)-N-cyclopentyl-4,4,4-trifluoro-2-(1H-pyrrol-3-ylmethylamino)butanamide
CID 141284199
1-methyl-N-[2-(2,2,2-trifluoroethylamino)ethyl]pyrrole-3-carboxamide
CID 145848262
1-(1-Methylpyrrol-3-yl)-3-(propan-2-ylamino)-5-(trifluoromethyl)pyridin-2-one
CID 154605285

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[3-(aminomethyl)pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 66409062) is 2-[3-(aminomethyl)pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[3-(aminomethyl)pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[3-(aminomethyl)pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is NCc1ccn(CC(=O)NCC(F)(F)F)c1.
What is the InChIKey of 2-[3-(aminomethyl)pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is YGUPBKYJIRTXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c10-9(11,12)6-14-8(16)5-15-2-1-7(3-13)4-15/h1-2,4H,3,5-6,13H2,(H,14,16).
What are the key properties of 2-[3-(aminomethyl)pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[3-(aminomethyl)pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 235.21 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 66409062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).