(1-benzylcyclopropyl)-[(3R)-3-propan-2-yloxypyrrolidin-1-yl]methanone

C18H25NO2 — CID 136583063

IUPAC(1-benzylcyclopropyl)-[(3R)-3-propan-2-yloxypyrrolidin-1-yl]methanone
SMILESCC(C)O[C@@H]1CCN(C(=O)C2(Cc3ccccc3)CC2)C1
InChIInChI=1S/C18H25NO2/c1-14(2)21-16-8-11-19(13-16)17(20)18(9-10-18)12-15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3/t16-/m1/s1
InChIKeyLTORRHBBXJOJKY-MRXNPFEDSA-N
MW287.40 g/mol
LogP3.04
Rot. Bonds5

About (1-benzylcyclopropyl)-[(3R)-3-propan-2-yloxypyrrolidin-1-yl]methanone

(1-benzylcyclopropyl)-[(3R)-3-propan-2-yloxypyrrolidin-1-yl]methanone (PubChem CID 136583063) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is (1-benzylcyclopropyl)-[(3R)-3-propan-2-yloxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1-benzylcyclopropyl)-[(3R)-3-propan-2-yloxypyrrolidin-1-yl]methanone
PubChem CID136583063
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name(1-benzylcyclopropyl)-[(3R)-3-propan-2-yloxypyrrolidin-1-yl]methanone
SMILESCC(C)O[C@@H]1CCN(C(=O)C2(Cc3ccccc3)CC2)C1
InChIInChI=1S/C18H25NO2/c1-14(2)21-16-8-11-19(13-16)17(20)18(9-10-18)12-15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3/t16-/m1/s1
InChIKeyLTORRHBBXJOJKY-MRXNPFEDSA-N
XLogP3.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(1-aminoethyl)piperidin-1-yl]-(1-benzylcyclopropyl)methanone;hydrochloride
CID 119519935
[3-(aminomethyl)pyrrolidin-1-yl]-(1-benzylcyclopropyl)methanone
CID 119486293
(1-benzylcyclopropyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119563003
(4-phenyloxan-4-yl)-[(3R)-3-propan-2-yloxypyrrolidin-1-yl]methanone
CID 138002316
(1-benzylcyclopropyl)-(3-methylpiperazin-1-yl)methanone
CID 119579725
(4-amino-3-ethylpiperidin-1-yl)-(1-benzylcyclobutyl)methanone;hydrochloride
CID 155820492
(1-benzylcyclopropyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120996210
[3-(aminomethyl)pyrrolidin-1-yl]-(1-benzylcyclobutyl)methanone;hydrochloride
CID 119486862
(1-benzylcyclobutyl)-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone
CID 71854094
2-methyl-1-(3-propan-2-yloxypyrrolidin-1-yl)propan-1-one
CID 140629108
4-(1-benzylcyclobutanecarbonyl)morpholine-2-carboxylic acid
CID 71914349
(4-benzylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone
CID 22741766

Frequently Asked Questions

What is the IUPAC name of (1-benzylcyclopropyl)-[(3R)-3-propan-2-yloxypyrrolidin-1-yl]methanone?
The IUPAC name of (1-benzylcyclopropyl)-[(3R)-3-propan-2-yloxypyrrolidin-1-yl]methanone (CID 136583063) is (1-benzylcyclopropyl)-[(3R)-3-propan-2-yloxypyrrolidin-1-yl]methanone.
What is the SMILES notation for (1-benzylcyclopropyl)-[(3R)-3-propan-2-yloxypyrrolidin-1-yl]methanone?
The canonical SMILES for (1-benzylcyclopropyl)-[(3R)-3-propan-2-yloxypyrrolidin-1-yl]methanone is CC(C)O[C@@H]1CCN(C(=O)C2(Cc3ccccc3)CC2)C1.
What is the InChIKey of (1-benzylcyclopropyl)-[(3R)-3-propan-2-yloxypyrrolidin-1-yl]methanone?
The InChIKey is LTORRHBBXJOJKY-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H25NO2/c1-14(2)21-16-8-11-19(13-16)17(20)18(9-10-18)12-15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3/t16-/m1/s1.
What are the key properties of (1-benzylcyclopropyl)-[(3R)-3-propan-2-yloxypyrrolidin-1-yl]methanone?
(1-benzylcyclopropyl)-[(3R)-3-propan-2-yloxypyrrolidin-1-yl]methanone has a molecular weight of 287.40 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylcyclopropyl)-[(3R)-3-propan-2-yloxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 136583063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).