(3-fluoropyrrolidin-3-yl)-(3-methylpyrrolidin-1-yl)methanone

C10H17FN2O — CID 130747822

IUPAC(3-fluoropyrrolidin-3-yl)-(3-methylpyrrolidin-1-yl)methanone
SMILESCC1CCN(C(=O)C2(F)CCNC2)C1
InChIInChI=1S/C10H17FN2O/c1-8-2-5-13(6-8)9(14)10(11)3-4-12-7-10/h8,12H,2-7H2,1H3
InChIKeyURRGARLGWLUVNC-UHFFFAOYSA-N
MW200.26 g/mol
LogP0.56
Rot. Bonds1

About (3-fluoropyrrolidin-3-yl)-(3-methylpyrrolidin-1-yl)methanone

(3-fluoropyrrolidin-3-yl)-(3-methylpyrrolidin-1-yl)methanone (PubChem CID 130747822) has the molecular formula C10H17FN2O and a molecular weight of 200.26 g/mol. Its IUPAC name is (3-fluoropyrrolidin-3-yl)-(3-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(3-fluoropyrrolidin-3-yl)-(3-methylpyrrolidin-1-yl)methanone
PubChem CID130747822
Molecular FormulaC10H17FN2O
Molecular Weight200.26 g/mol
Exact Mass200.13
IUPAC Name(3-fluoropyrrolidin-3-yl)-(3-methylpyrrolidin-1-yl)methanone
SMILESCC1CCN(C(=O)C2(F)CCNC2)C1
InChIInChI=1S/C10H17FN2O/c1-8-2-5-13(6-8)9(14)10(11)3-4-12-7-10/h8,12H,2-7H2,1H3
InChIKeyURRGARLGWLUVNC-UHFFFAOYSA-N
XLogP0.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;(1-fluorocyclopropyl)-(3-methylpyrrolidin-1-yl)methanone
CID 170766986
azetidin-1-yl-(3-fluoropiperidin-3-yl)methanone
CID 84719009
[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[(3R)-3-fluoropyrrolidin-3-yl]methanone
CID 125146920
(3-methylpiperidin-3-yl)-(4-methylpiperidin-1-yl)methanone
CID 63132368
2-cyclohexyl-N-[1-(3-fluoropyrrolidine-3-carbonyl)piperidin-4-yl]acetamide;hydrochloride
CID 119042660
(4-hydroxy-3-methylpiperidin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 114678268
(1-methoxycyclopropyl)-(3-methylpyrrolidin-1-yl)methanone
CID 169181474
(4-fluoropiperidin-4-yl)-pyrrolidin-1-ylmethanone;hydrochloride
CID 74890104
(4-methoxypiperidin-4-yl)-(4-methylpiperidin-1-yl)methanone
CID 119675095
(4-hydroxy-3-methylpiperidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106981349
(3-hydroxypyrrolidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106980620
[(3S)-3-methylpyrrolidin-1-yl]-piperidin-4-ylmethanone
CID 90192135

Frequently Asked Questions

What is the IUPAC name of (3-fluoropyrrolidin-3-yl)-(3-methylpyrrolidin-1-yl)methanone?
The IUPAC name of (3-fluoropyrrolidin-3-yl)-(3-methylpyrrolidin-1-yl)methanone (CID 130747822) is (3-fluoropyrrolidin-3-yl)-(3-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (3-fluoropyrrolidin-3-yl)-(3-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for (3-fluoropyrrolidin-3-yl)-(3-methylpyrrolidin-1-yl)methanone is CC1CCN(C(=O)C2(F)CCNC2)C1.
What is the InChIKey of (3-fluoropyrrolidin-3-yl)-(3-methylpyrrolidin-1-yl)methanone?
The InChIKey is URRGARLGWLUVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN2O/c1-8-2-5-13(6-8)9(14)10(11)3-4-12-7-10/h8,12H,2-7H2,1H3.
What are the key properties of (3-fluoropyrrolidin-3-yl)-(3-methylpyrrolidin-1-yl)methanone?
(3-fluoropyrrolidin-3-yl)-(3-methylpyrrolidin-1-yl)methanone has a molecular weight of 200.26 g/mol, XLogP of 0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoropyrrolidin-3-yl)-(3-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 130747822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).