3-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]-1H-pyrrole

C10H15FN2 — CID 131201224

IUPAC3-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]-1H-pyrrole
SMILESCC1(F)CCN(Cc2cc[nH]c2)C1
InChIInChI=1S/C10H15FN2/c1-10(11)3-5-13(8-10)7-9-2-4-12-6-9/h2,4,6,12H,3,5,7-8H2,1H3
InChIKeySUVFHQFOZDQQFI-UHFFFAOYSA-N
MW182.24 g/mol
LogP1.95
Rot. Bonds2

About 3-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]-1H-pyrrole

3-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]-1H-pyrrole (PubChem CID 131201224) has the molecular formula C10H15FN2 and a molecular weight of 182.24 g/mol. Its IUPAC name is 3-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]-1H-pyrrole.

Molecular Properties

Compound Name3-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]-1H-pyrrole
PubChem CID131201224
Molecular FormulaC10H15FN2
Molecular Weight182.24 g/mol
Exact Mass182.12
IUPAC Name3-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]-1H-pyrrole
SMILESCC1(F)CCN(Cc2cc[nH]c2)C1
InChIInChI=1S/C10H15FN2/c1-10(11)3-5-13(8-10)7-9-2-4-12-6-9/h2,4,6,12H,3,5,7-8H2,1H3
InChIKeySUVFHQFOZDQQFI-UHFFFAOYSA-N
XLogP1.95
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]-1H-pyrrole?
The IUPAC name of 3-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]-1H-pyrrole (CID 131201224) is 3-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]-1H-pyrrole.
What is the SMILES notation for 3-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]-1H-pyrrole?
The canonical SMILES for 3-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]-1H-pyrrole is CC1(F)CCN(Cc2cc[nH]c2)C1.
What is the InChIKey of 3-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]-1H-pyrrole?
The InChIKey is SUVFHQFOZDQQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2/c1-10(11)3-5-13(8-10)7-9-2-4-12-6-9/h2,4,6,12H,3,5,7-8H2,1H3.
What are the key properties of 3-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]-1H-pyrrole?
3-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]-1H-pyrrole has a molecular weight of 182.24 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]-1H-pyrrole is sourced from PubChem (CID 131201224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).