1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2,2-diphenylethanone

C22H25NO2 — CID 119105515

IUPAC1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2,2-diphenylethanone
SMILESO=C(C(c1ccccc1)c1ccccc1)N1CCC(OCC2CC2)C1
InChIInChI=1S/C22H25NO2/c24-22(23-14-13-20(15-23)25-16-17-11-12-17)21(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-10,17,20-21H,11-16H2
InChIKeyRGUHJFZPCAREKE-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.85
Rot. Bonds6

About 1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2,2-diphenylethanone

1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2,2-diphenylethanone (PubChem CID 119105515) has the molecular formula C22H25NO2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2,2-diphenylethanone.

Molecular Properties

Compound Name1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2,2-diphenylethanone
PubChem CID119105515
Molecular FormulaC22H25NO2
Molecular Weight335.45 g/mol
Exact Mass335.19
IUPAC Name1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2,2-diphenylethanone
SMILESO=C(C(c1ccccc1)c1ccccc1)N1CCC(OCC2CC2)C1
InChIInChI=1S/C22H25NO2/c24-22(23-14-13-20(15-23)25-16-17-11-12-17)21(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-10,17,20-21H,11-16H2
InChIKeyRGUHJFZPCAREKE-UHFFFAOYSA-N
XLogP3.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl (3R)-3-(cyclopropylmethoxy)pyrrolidine-1-carboxylate
CID 129379459
1-(4-methoxypiperidin-1-yl)-2,2-diphenylethanone
CID 110725272
1-[4-(3-aminopropoxy)piperidin-1-yl]-2,2-diphenylethanone
CID 119663605
1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-2,2-diphenylethanone
CID 90639146
2,2-diphenyl-1-(3-phenylpyrrolidin-1-yl)ethanone
CID 2910235
[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(2-ethoxyphenyl)methanone
CID 121022721
[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(2,6-difluorophenyl)methanone
CID 121197502
3-(cyclopropylmethoxy)-N-(2-fluorophenyl)pyrrolidine-1-carboxamide
CID 121197683
N-(2-chlorophenyl)-3-(cyclopropylmethoxy)pyrrolidine-1-carboxamide
CID 121197665
2-[2-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 121197508
[(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 129452854
1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 119105498

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2,2-diphenylethanone?
The IUPAC name of 1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2,2-diphenylethanone (CID 119105515) is 1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2,2-diphenylethanone.
What is the SMILES notation for 1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2,2-diphenylethanone?
The canonical SMILES for 1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2,2-diphenylethanone is O=C(C(c1ccccc1)c1ccccc1)N1CCC(OCC2CC2)C1.
What is the InChIKey of 1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2,2-diphenylethanone?
The InChIKey is RGUHJFZPCAREKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO2/c24-22(23-14-13-20(15-23)25-16-17-11-12-17)21(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-10,17,20-21H,11-16H2.
What are the key properties of 1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2,2-diphenylethanone?
1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2,2-diphenylethanone has a molecular weight of 335.45 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2,2-diphenylethanone is sourced from PubChem (CID 119105515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).