(2-fluoro-1-methylcyclopropyl)-(3-hydroxypyrrolidin-1-yl)methanone

C9H14FNO2 — CID 130900624

IUPAC(2-fluoro-1-methylcyclopropyl)-(3-hydroxypyrrolidin-1-yl)methanone
SMILESCC1(C(=O)N2CCC(O)C2)CC1F
InChIInChI=1S/C9H14FNO2/c1-9(4-7(9)10)8(13)11-3-2-6(12)5-11/h6-7,12H,2-5H2,1H3
InChIKeyCWNLAJOJRVCMDR-UHFFFAOYSA-N
MW187.21 g/mol
LogP0.33
Rot. Bonds1

About (2-fluoro-1-methylcyclopropyl)-(3-hydroxypyrrolidin-1-yl)methanone

(2-fluoro-1-methylcyclopropyl)-(3-hydroxypyrrolidin-1-yl)methanone (PubChem CID 130900624) has the molecular formula C9H14FNO2 and a molecular weight of 187.21 g/mol. Its IUPAC name is (2-fluoro-1-methylcyclopropyl)-(3-hydroxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2-fluoro-1-methylcyclopropyl)-(3-hydroxypyrrolidin-1-yl)methanone
PubChem CID130900624
Molecular FormulaC9H14FNO2
Molecular Weight187.21 g/mol
Exact Mass187.10
IUPAC Name(2-fluoro-1-methylcyclopropyl)-(3-hydroxypyrrolidin-1-yl)methanone
SMILESCC1(C(=O)N2CCC(O)C2)CC1F
InChIInChI=1S/C9H14FNO2/c1-9(4-7(9)10)8(13)11-3-2-6(12)5-11/h6-7,12H,2-5H2,1H3
InChIKeyCWNLAJOJRVCMDR-UHFFFAOYSA-N
XLogP0.33
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.21
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 58790231
1-[(4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]propan-1-one
CID 68086233
1-(3-Fluoro-4-hydroxypyrrolidin-1-yl)propan-1-one
CID 77405134
Cyclopropyl-[3-(fluoromethyl)-4-hydroxypyrrolidin-1-yl]methanone
CID 118556859
cyclopropyl-[(3S,4R)-3-(fluoromethyl)-4-hydroxypyrrolidin-1-yl]methanone
CID 118556860
Cyclopropyl-[3-(difluoromethyl)-4-hydroxypyrrolidin-1-yl]methanone
CID 118556916
cyclopropyl-[(3S,4R)-3-(difluoromethyl)-4-hydroxypyrrolidin-1-yl]methanone
CID 118556917
1-[(3S,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]ethanone
CID 122536246
1-[(3R,4R)-3-fluoro-4-hydroxy-pyrrolidin-1-yl]ethanone
CID 122536254
1-[(3S,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]propan-1-one
CID 122536398
Rac-trans-cyclopropyl(3-(difluoromethyl)-4-hydroxypyrrolidin-1-yl)methanone
CID 131744788
1-[(3S,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]-2-methylpropan-1-one
CID 132267389

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-1-methylcyclopropyl)-(3-hydroxypyrrolidin-1-yl)methanone?
The IUPAC name of (2-fluoro-1-methylcyclopropyl)-(3-hydroxypyrrolidin-1-yl)methanone (CID 130900624) is (2-fluoro-1-methylcyclopropyl)-(3-hydroxypyrrolidin-1-yl)methanone.
What is the SMILES notation for (2-fluoro-1-methylcyclopropyl)-(3-hydroxypyrrolidin-1-yl)methanone?
The canonical SMILES for (2-fluoro-1-methylcyclopropyl)-(3-hydroxypyrrolidin-1-yl)methanone is CC1(C(=O)N2CCC(O)C2)CC1F.
What is the InChIKey of (2-fluoro-1-methylcyclopropyl)-(3-hydroxypyrrolidin-1-yl)methanone?
The InChIKey is CWNLAJOJRVCMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO2/c1-9(4-7(9)10)8(13)11-3-2-6(12)5-11/h6-7,12H,2-5H2,1H3.
What are the key properties of (2-fluoro-1-methylcyclopropyl)-(3-hydroxypyrrolidin-1-yl)methanone?
(2-fluoro-1-methylcyclopropyl)-(3-hydroxypyrrolidin-1-yl)methanone has a molecular weight of 187.21 g/mol, XLogP of 0.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-1-methylcyclopropyl)-(3-hydroxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 130900624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).