[(3R)-3-hydroxypyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone

C14H17NO2 — CID 66262419

IUPAC[(3R)-3-hydroxypyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
SMILESO=C(N1CC[C@@H](O)C1)C1(c2ccccc2)CC1
InChIInChI=1S/C14H17NO2/c16-12-6-9-15(10-12)13(17)14(7-8-14)11-4-2-1-3-5-11/h1-5,12,16H,6-10H2/t12-/m1/s1
InChIKeyAOTSYJYWLHHSCN-GFCCVEGCSA-N
MW231.30 g/mol
LogP1.31
Rot. Bonds2

About [(3R)-3-hydroxypyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone

[(3R)-3-hydroxypyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone (PubChem CID 66262419) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is [(3R)-3-hydroxypyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone.

Molecular Properties

Compound Name[(3R)-3-hydroxypyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
PubChem CID66262419
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name[(3R)-3-hydroxypyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
SMILESO=C(N1CC[C@@H](O)C1)C1(c2ccccc2)CC1
InChIInChI=1S/C14H17NO2/c16-12-6-9-15(10-12)13(17)14(7-8-14)11-4-2-1-3-5-11/h1-5,12,16H,6-10H2/t12-/m1/s1
InChIKeyAOTSYJYWLHHSCN-GFCCVEGCSA-N
XLogP1.31
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chloropyrrolidin-1-yl)-(1-phenylcyclopropyl)methanone
CID 63394917
[1-(3-fluorophenyl)cyclopropyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111561853
[(3S)-3-aminopyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone;hydrochloride
CID 119934201
(4-bromo-3-methylpiperidin-1-yl)-(1-phenylcyclopropyl)methanone
CID 114683504
ethane;(4-methylpiperidin-1-yl)-(1-phenylcyclopropyl)methanone
CID 144893493
(4-amino-3-ethylpiperidin-1-yl)-(1-phenylcyclopropyl)methanone
CID 81457070
methyl 1-(1-phenylcyclopropanecarbonyl)pyrrolidine-3-carboxylate
CID 78968034
[1-(3-chlorophenyl)cyclohexyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111560944
[1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 71876645
(1-phenylcyclopropyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120996455
[4-(methylamino)piperidin-1-yl]-(1-phenylcyclopropyl)methanone;hydrochloride
CID 119560283
(1-phenylcyclopropyl)-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 71929478

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-hydroxypyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone?
The IUPAC name of [(3R)-3-hydroxypyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone (CID 66262419) is [(3R)-3-hydroxypyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone.
What is the SMILES notation for [(3R)-3-hydroxypyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone?
The canonical SMILES for [(3R)-3-hydroxypyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone is O=C(N1CC[C@@H](O)C1)C1(c2ccccc2)CC1.
What is the InChIKey of [(3R)-3-hydroxypyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone?
The InChIKey is AOTSYJYWLHHSCN-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H17NO2/c16-12-6-9-15(10-12)13(17)14(7-8-14)11-4-2-1-3-5-11/h1-5,12,16H,6-10H2/t12-/m1/s1.
What are the key properties of [(3R)-3-hydroxypyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone?
[(3R)-3-hydroxypyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone has a molecular weight of 231.30 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-hydroxypyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone is sourced from PubChem (CID 66262419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).