1-[3-(methoxymethyl)pyrrolidin-1-yl]-3-methyl-2-propan-2-ylpentan-1-one

C15H29NO2 — CID 118582163

IUPAC1-[3-(methoxymethyl)pyrrolidin-1-yl]-3-methyl-2-propan-2-ylpentan-1-one
SMILESCCC(C)C(C(=O)N1CCC(COC)C1)C(C)C
InChIInChI=1S/C15H29NO2/c1-6-12(4)14(11(2)3)15(17)16-8-7-13(9-16)10-18-5/h11-14H,6-10H2,1-5H3
InChIKeyLKGBUXYCSBGLBL-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.80
Rot. Bonds6

About 1-[3-(methoxymethyl)pyrrolidin-1-yl]-3-methyl-2-propan-2-ylpentan-1-one

1-[3-(methoxymethyl)pyrrolidin-1-yl]-3-methyl-2-propan-2-ylpentan-1-one (PubChem CID 118582163) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 1-[3-(methoxymethyl)pyrrolidin-1-yl]-3-methyl-2-propan-2-ylpentan-1-one.

Molecular Properties

Compound Name1-[3-(methoxymethyl)pyrrolidin-1-yl]-3-methyl-2-propan-2-ylpentan-1-one
PubChem CID118582163
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name1-[3-(methoxymethyl)pyrrolidin-1-yl]-3-methyl-2-propan-2-ylpentan-1-one
SMILESCCC(C)C(C(=O)N1CCC(COC)C1)C(C)C
InChIInChI=1S/C15H29NO2/c1-6-12(4)14(11(2)3)15(17)16-8-7-13(9-16)10-18-5/h11-14H,6-10H2,1-5H3
InChIKeyLKGBUXYCSBGLBL-UHFFFAOYSA-N
XLogP2.80
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(methoxymethyl)pyrrolidin-1-yl]-3-methyl-2-propan-2-ylpentan-1-one?
The IUPAC name of 1-[3-(methoxymethyl)pyrrolidin-1-yl]-3-methyl-2-propan-2-ylpentan-1-one (CID 118582163) is 1-[3-(methoxymethyl)pyrrolidin-1-yl]-3-methyl-2-propan-2-ylpentan-1-one.
What is the SMILES notation for 1-[3-(methoxymethyl)pyrrolidin-1-yl]-3-methyl-2-propan-2-ylpentan-1-one?
The canonical SMILES for 1-[3-(methoxymethyl)pyrrolidin-1-yl]-3-methyl-2-propan-2-ylpentan-1-one is CCC(C)C(C(=O)N1CCC(COC)C1)C(C)C.
What is the InChIKey of 1-[3-(methoxymethyl)pyrrolidin-1-yl]-3-methyl-2-propan-2-ylpentan-1-one?
The InChIKey is LKGBUXYCSBGLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-6-12(4)14(11(2)3)15(17)16-8-7-13(9-16)10-18-5/h11-14H,6-10H2,1-5H3.
What are the key properties of 1-[3-(methoxymethyl)pyrrolidin-1-yl]-3-methyl-2-propan-2-ylpentan-1-one?
1-[3-(methoxymethyl)pyrrolidin-1-yl]-3-methyl-2-propan-2-ylpentan-1-one has a molecular weight of 255.40 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methoxymethyl)pyrrolidin-1-yl]-3-methyl-2-propan-2-ylpentan-1-one is sourced from PubChem (CID 118582163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).