[1-(2-fluorophenyl)cyclopropyl]-[(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone

C19H25FN2O3 — CID 125003959

IUPAC[1-(2-fluorophenyl)cyclopropyl]-[(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone
SMILESO=C(N1CC[C@](O)(CN2CCOCC2)C1)C1(c2ccccc2F)CC1
InChIInChI=1S/C19H25FN2O3/c20-16-4-2-1-3-15(16)19(5-6-19)17(23)22-8-7-18(24,14-22)13-21-9-11-25-12-10-21/h1-4,24H,5-14H2/t18-/m0/s1
InChIKeySVCLYMFIBKOAGD-SFHVURJKSA-N
MW348.42 g/mol
LogP1.15
Rot. Bonds4

About [1-(2-fluorophenyl)cyclopropyl]-[(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone

[1-(2-fluorophenyl)cyclopropyl]-[(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone (PubChem CID 125003959) has the molecular formula C19H25FN2O3 and a molecular weight of 348.42 g/mol. Its IUPAC name is [1-(2-fluorophenyl)cyclopropyl]-[(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(2-fluorophenyl)cyclopropyl]-[(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone
PubChem CID125003959
Molecular FormulaC19H25FN2O3
Molecular Weight348.42 g/mol
Exact Mass348.18
IUPAC Name[1-(2-fluorophenyl)cyclopropyl]-[(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone
SMILESO=C(N1CC[C@](O)(CN2CCOCC2)C1)C1(c2ccccc2F)CC1
InChIInChI=1S/C19H25FN2O3/c20-16-4-2-1-3-15(16)19(5-6-19)17(23)22-8-7-18(24,14-22)13-21-9-11-25-12-10-21/h1-4,24H,5-14H2/t18-/m0/s1
InChIKeySVCLYMFIBKOAGD-SFHVURJKSA-N
XLogP1.15
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(2-fluorophenyl)cyclopropyl]-[(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [1-(2-fluorophenyl)cyclopropyl]-[(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone (CID 125003959) is [1-(2-fluorophenyl)cyclopropyl]-[(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [1-(2-fluorophenyl)cyclopropyl]-[(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [1-(2-fluorophenyl)cyclopropyl]-[(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone is O=C(N1CC[C@](O)(CN2CCOCC2)C1)C1(c2ccccc2F)CC1.
What is the InChIKey of [1-(2-fluorophenyl)cyclopropyl]-[(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone?
The InChIKey is SVCLYMFIBKOAGD-SFHVURJKSA-N. The full InChI is InChI=1S/C19H25FN2O3/c20-16-4-2-1-3-15(16)19(5-6-19)17(23)22-8-7-18(24,14-22)13-21-9-11-25-12-10-21/h1-4,24H,5-14H2/t18-/m0/s1.
What are the key properties of [1-(2-fluorophenyl)cyclopropyl]-[(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone?
[1-(2-fluorophenyl)cyclopropyl]-[(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone has a molecular weight of 348.42 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluorophenyl)cyclopropyl]-[(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 125003959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).