[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(4-fluorophenyl)methanone

C15H18FNO2 — CID 110196272

IUPAC[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCC(OCC2CC2)C1
InChIInChI=1S/C15H18FNO2/c16-13-5-3-12(4-6-13)15(18)17-8-7-14(9-17)19-10-11-1-2-11/h3-6,11,14H,1-2,7-10H2
InChIKeyFOAAZGNRQKQTSK-UHFFFAOYSA-N
MW263.31 g/mol
LogP2.47
Rot. Bonds4

About [3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(4-fluorophenyl)methanone

[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(4-fluorophenyl)methanone (PubChem CID 110196272) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is [3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(4-fluorophenyl)methanone
PubChem CID110196272
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC Name[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCC(OCC2CC2)C1
InChIInChI=1S/C15H18FNO2/c16-13-5-3-12(4-6-13)15(18)17-8-7-14(9-17)19-10-11-1-2-11/h3-6,11,14H,1-2,7-10H2
InChIKeyFOAAZGNRQKQTSK-UHFFFAOYSA-N
XLogP2.47
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(cyclopropylmethyl)-N-(tetrahydro-2-furanylmethyl)[1,1'-biphenyl]-4-carboxamide
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CID 44571491

Frequently Asked Questions

What is the IUPAC name of [3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(4-fluorophenyl)methanone (CID 110196272) is [3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)N1CCC(OCC2CC2)C1.
What is the InChIKey of [3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(4-fluorophenyl)methanone?
The InChIKey is FOAAZGNRQKQTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2/c16-13-5-3-12(4-6-13)15(18)17-8-7-14(9-17)19-10-11-1-2-11/h3-6,11,14H,1-2,7-10H2.
What are the key properties of [3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(4-fluorophenyl)methanone?
[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(4-fluorophenyl)methanone has a molecular weight of 263.31 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 110196272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).