cyclopropyl-[2-(phenylmethoxymethyl)pyrrolidin-2-yl]methanone;ethane;propane

C21H35NO2 — CID 170595415

IUPACcyclopropyl-[2-(phenylmethoxymethyl)pyrrolidin-2-yl]methanone;ethane;propane
SMILESCC.CCC.O=C(C1CC1)C1(COCc2ccccc2)CCCN1
InChIInChI=1S/C16H21NO2.C3H8.C2H6/c18-15(14-7-8-14)16(9-4-10-17-16)12-19-11-13-5-2-1-3-6-13;1-3-2;1-2/h1-3,5-6,14,17H,4,7-12H2;3H2,1-2H3;1-2H3
InChIKeyHNOYBFTYEKIWRP-UHFFFAOYSA-N
MW333.52 g/mol
LogP4.75
Rot. Bonds6

About cyclopropyl-[2-(phenylmethoxymethyl)pyrrolidin-2-yl]methanone;ethane;propane

cyclopropyl-[2-(phenylmethoxymethyl)pyrrolidin-2-yl]methanone;ethane;propane (PubChem CID 170595415) has the molecular formula C21H35NO2 and a molecular weight of 333.52 g/mol. Its IUPAC name is cyclopropyl-[2-(phenylmethoxymethyl)pyrrolidin-2-yl]methanone;ethane;propane.

Molecular Properties

Compound Namecyclopropyl-[2-(phenylmethoxymethyl)pyrrolidin-2-yl]methanone;ethane;propane
PubChem CID170595415
Molecular FormulaC21H35NO2
Molecular Weight333.52 g/mol
Exact Mass333.27
IUPAC Namecyclopropyl-[2-(phenylmethoxymethyl)pyrrolidin-2-yl]methanone;ethane;propane
SMILESCC.CCC.O=C(C1CC1)C1(COCc2ccccc2)CCCN1
InChIInChI=1S/C16H21NO2.C3H8.C2H6/c18-15(14-7-8-14)16(9-4-10-17-16)12-19-11-13-5-2-1-3-6-13;1-3-2;1-2/h1-3,5-6,14,17H,4,7-12H2;3H2,1-2H3;1-2H3
InChIKeyHNOYBFTYEKIWRP-UHFFFAOYSA-N
XLogP4.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.52
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropyl-(2-ethylpyrrolidin-2-yl)methanone
CID 116608291
2-(3-phenylmethoxypropyl)pyrrolidine-2-carboxamide
CID 173103378
ethyl 2-benzylpyrrolidine-2-carboxylate
CID 75525875
[2-[(4-bromophenyl)methyl]pyrrolidin-2-yl]-cyclopropylmethanone
CID 69196257
benzyl 2-[(E)-but-2-enyl]pyrrolidine-2-carboxylate
CID 139425827
(2-benzylpyrrolidin-2-yl)-phenylmethanone
CID 594890
methyl (1R,2S,6R)-2-(phenylmethoxymethyl)-7-oxabicyclo[4.1.0]heptane-2-carboxylate
CID 98389801
1-O-tert-butyl 2-O-ethyl 5-methyl-2-(phenylmethoxymethyl)pyrrolidine-1,2-dicarboxylate
CID 118594532
methyl 4-tert-butyl-1-(phenylmethoxymethyl)cyclohexane-1-carboxylate
CID 118337335
N-[(1R,2R)-2-hydroxy-2-(phenylmethoxymethyl)cyclopentyl]acetamide
CID 10491797
N-benzyl-2-ethyl-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
CID 83063903
2-[1-(phenylmethoxymethyl)cyclopropyl]acetic acid
CID 65496133

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[2-(phenylmethoxymethyl)pyrrolidin-2-yl]methanone;ethane;propane?
The IUPAC name of cyclopropyl-[2-(phenylmethoxymethyl)pyrrolidin-2-yl]methanone;ethane;propane (CID 170595415) is cyclopropyl-[2-(phenylmethoxymethyl)pyrrolidin-2-yl]methanone;ethane;propane.
What is the SMILES notation for cyclopropyl-[2-(phenylmethoxymethyl)pyrrolidin-2-yl]methanone;ethane;propane?
The canonical SMILES for cyclopropyl-[2-(phenylmethoxymethyl)pyrrolidin-2-yl]methanone;ethane;propane is CC.CCC.O=C(C1CC1)C1(COCc2ccccc2)CCCN1.
What is the InChIKey of cyclopropyl-[2-(phenylmethoxymethyl)pyrrolidin-2-yl]methanone;ethane;propane?
The InChIKey is HNOYBFTYEKIWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2.C3H8.C2H6/c18-15(14-7-8-14)16(9-4-10-17-16)12-19-11-13-5-2-1-3-6-13;1-3-2;1-2/h1-3,5-6,14,17H,4,7-12H2;3H2,1-2H3;1-2H3.
What are the key properties of cyclopropyl-[2-(phenylmethoxymethyl)pyrrolidin-2-yl]methanone;ethane;propane?
cyclopropyl-[2-(phenylmethoxymethyl)pyrrolidin-2-yl]methanone;ethane;propane has a molecular weight of 333.52 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[2-(phenylmethoxymethyl)pyrrolidin-2-yl]methanone;ethane;propane is sourced from PubChem (CID 170595415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).