1-[2-amino-2-[1-(1-fluoroethyl)cyclopentyl]acetyl]-5-methylpyrrolidine-2-carbonitrile

C15H24FN3O — CID 163978174

IUPAC1-[2-amino-2-[1-(1-fluoroethyl)cyclopentyl]acetyl]-5-methylpyrrolidine-2-carbonitrile
SMILESCC1CCC(C#N)N1C(=O)C(N)C1(C(C)F)CCCC1
InChIInChI=1S/C15H24FN3O/c1-10-5-6-12(9-17)19(10)14(20)13(18)15(11(2)16)7-3-4-8-15/h10-13H,3-8,18H2,1-2H3
InChIKeySVZFCYYCXSRCAY-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.14
Rot. Bonds3

About 1-[2-amino-2-[1-(1-fluoroethyl)cyclopentyl]acetyl]-5-methylpyrrolidine-2-carbonitrile

1-[2-amino-2-[1-(1-fluoroethyl)cyclopentyl]acetyl]-5-methylpyrrolidine-2-carbonitrile (PubChem CID 163978174) has the molecular formula C15H24FN3O and a molecular weight of 281.38 g/mol. Its IUPAC name is 1-[2-amino-2-[1-(1-fluoroethyl)cyclopentyl]acetyl]-5-methylpyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name1-[2-amino-2-[1-(1-fluoroethyl)cyclopentyl]acetyl]-5-methylpyrrolidine-2-carbonitrile
PubChem CID163978174
Molecular FormulaC15H24FN3O
Molecular Weight281.38 g/mol
Exact Mass281.19
IUPAC Name1-[2-amino-2-[1-(1-fluoroethyl)cyclopentyl]acetyl]-5-methylpyrrolidine-2-carbonitrile
SMILESCC1CCC(C#N)N1C(=O)C(N)C1(C(C)F)CCCC1
InChIInChI=1S/C15H24FN3O/c1-10-5-6-12(9-17)19(10)14(20)13(18)15(11(2)16)7-3-4-8-15/h10-13H,3-8,18H2,1-2H3
InChIKeySVZFCYYCXSRCAY-UHFFFAOYSA-N
XLogP2.14
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-2-[1-(1-fluoroethyl)cyclopentyl]acetyl]-5-methylpyrrolidine-2-carbonitrile?
The IUPAC name of 1-[2-amino-2-[1-(1-fluoroethyl)cyclopentyl]acetyl]-5-methylpyrrolidine-2-carbonitrile (CID 163978174) is 1-[2-amino-2-[1-(1-fluoroethyl)cyclopentyl]acetyl]-5-methylpyrrolidine-2-carbonitrile.
What is the SMILES notation for 1-[2-amino-2-[1-(1-fluoroethyl)cyclopentyl]acetyl]-5-methylpyrrolidine-2-carbonitrile?
The canonical SMILES for 1-[2-amino-2-[1-(1-fluoroethyl)cyclopentyl]acetyl]-5-methylpyrrolidine-2-carbonitrile is CC1CCC(C#N)N1C(=O)C(N)C1(C(C)F)CCCC1.
What is the InChIKey of 1-[2-amino-2-[1-(1-fluoroethyl)cyclopentyl]acetyl]-5-methylpyrrolidine-2-carbonitrile?
The InChIKey is SVZFCYYCXSRCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3O/c1-10-5-6-12(9-17)19(10)14(20)13(18)15(11(2)16)7-3-4-8-15/h10-13H,3-8,18H2,1-2H3.
What are the key properties of 1-[2-amino-2-[1-(1-fluoroethyl)cyclopentyl]acetyl]-5-methylpyrrolidine-2-carbonitrile?
1-[2-amino-2-[1-(1-fluoroethyl)cyclopentyl]acetyl]-5-methylpyrrolidine-2-carbonitrile has a molecular weight of 281.38 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-2-[1-(1-fluoroethyl)cyclopentyl]acetyl]-5-methylpyrrolidine-2-carbonitrile is sourced from PubChem (CID 163978174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).