[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-morpholin-4-ylmethanone

C13H22N2O3 — CID 121197601

IUPAC[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CCC(OCC2CC2)C1
InChIInChI=1S/C13H22N2O3/c16-13(14-5-7-17-8-6-14)15-4-3-12(9-15)18-10-11-1-2-11/h11-12H,1-10H2
InChIKeyKWNRLLNCZYEGPO-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.94
Rot. Bonds3

About [3-(cyclopropylmethoxy)pyrrolidin-1-yl]-morpholin-4-ylmethanone

[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-morpholin-4-ylmethanone (PubChem CID 121197601) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is [3-(cyclopropylmethoxy)pyrrolidin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-morpholin-4-ylmethanone
PubChem CID121197601
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CCC(OCC2CC2)C1
InChIInChI=1S/C13H22N2O3/c16-13(14-5-7-17-8-6-14)15-4-3-12(9-15)18-10-11-1-2-11/h11-12H,1-10H2
InChIKeyKWNRLLNCZYEGPO-UHFFFAOYSA-N
XLogP0.94
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(cyclopropylmethoxy)pyrrolidin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-(cyclopropylmethoxy)pyrrolidin-1-yl]-morpholin-4-ylmethanone (CID 121197601) is [3-(cyclopropylmethoxy)pyrrolidin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-(cyclopropylmethoxy)pyrrolidin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-(cyclopropylmethoxy)pyrrolidin-1-yl]-morpholin-4-ylmethanone is O=C(N1CCOCC1)N1CCC(OCC2CC2)C1.
What is the InChIKey of [3-(cyclopropylmethoxy)pyrrolidin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is KWNRLLNCZYEGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c16-13(14-5-7-17-8-6-14)15-4-3-12(9-15)18-10-11-1-2-11/h11-12H,1-10H2.
What are the key properties of [3-(cyclopropylmethoxy)pyrrolidin-1-yl]-morpholin-4-ylmethanone?
[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 254.33 g/mol, XLogP of 0.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclopropylmethoxy)pyrrolidin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 121197601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).