3-cyclopentyl-1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]propan-1-one

C16H27NO2 — CID 121197558

IUPAC3-cyclopentyl-1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]propan-1-one
SMILESO=C(CCC1CCCC1)N1CCC(OCC2CC2)C1
InChIInChI=1S/C16H27NO2/c18-16(8-7-13-3-1-2-4-13)17-10-9-15(11-17)19-12-14-5-6-14/h13-15H,1-12H2
InChIKeyVRGHLUUKZOOCBE-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.98
Rot. Bonds6

About 3-cyclopentyl-1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]propan-1-one

3-cyclopentyl-1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]propan-1-one (PubChem CID 121197558) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-cyclopentyl-1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]propan-1-one
PubChem CID121197558
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name3-cyclopentyl-1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]propan-1-one
SMILESO=C(CCC1CCCC1)N1CCC(OCC2CC2)C1
InChIInChI=1S/C16H27NO2/c18-16(8-7-13-3-1-2-4-13)17-10-9-15(11-17)19-12-14-5-6-14/h13-15H,1-12H2
InChIKeyVRGHLUUKZOOCBE-UHFFFAOYSA-N
XLogP2.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclobutylmethyl (3R)-3-(cyclopropylmethoxy)pyrrolidine-1-carboxylate
CID 129356038
cyclobutylmethyl (3S)-3-(cyclopropylmethoxy)pyrrolidine-1-carboxylate
CID 129356040
3-cyclopentyl-1-[4-(3-cyclopentylpropanoyl)-1,4-diazepan-1-yl]propan-1-one
CID 5202328
1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-pyrrol-1-ylethanone
CID 121197489
1-[4-(bromomethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one
CID 80677357
3-cyclopentyl-1-[3-(methylamino)pyrrolidin-1-yl]propan-1-one
CID 81424634
N-tert-butyl-3-(cyclopropylmethoxy)pyrrolidine-1-carboxamide
CID 121197654
3-cyclopentyl-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]propan-1-one
CID 90639054
3-cyclopentyl-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one
CID 80551568
3-(4-aminocyclohexyl)-1-(4-methoxypiperidin-1-yl)propan-1-one
CID 62781510
1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-3-(4-methylsulfanylphenyl)propan-1-one
CID 121197456
1-[(3R)-3-aminopiperidin-1-yl]-3-cyclohexylpropan-1-one
CID 102978602

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-cyclopentyl-1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]propan-1-one (CID 121197558) is 3-cyclopentyl-1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]propan-1-one is O=C(CCC1CCCC1)N1CCC(OCC2CC2)C1.
What is the InChIKey of 3-cyclopentyl-1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]propan-1-one?
The InChIKey is VRGHLUUKZOOCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c18-16(8-7-13-3-1-2-4-13)17-10-9-15(11-17)19-12-14-5-6-14/h13-15H,1-12H2.
What are the key properties of 3-cyclopentyl-1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]propan-1-one?
3-cyclopentyl-1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]propan-1-one has a molecular weight of 265.40 g/mol, XLogP of 2.98, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 121197558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).