4-(pyrrolidin-3-ylmethyl)morpholine

C9H18N2O — CID 14627371

IUPAC4-(pyrrolidin-3-ylmethyl)morpholine
SMILESC1CC(CN2CCOCC2)CN1
InChIInChI=1S/C9H18N2O/c1-2-10-7-9(1)8-11-3-5-12-6-4-11/h9-10H,1-8H2
InChIKeyJEQJKJPNFWHBRP-UHFFFAOYSA-N
MW170.26 g/mol
LogP-0.07
Rot. Bonds2

About 4-(pyrrolidin-3-ylmethyl)morpholine

4-(pyrrolidin-3-ylmethyl)morpholine (PubChem CID 14627371) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 4-(pyrrolidin-3-ylmethyl)morpholine.

Molecular Properties

Compound Name4-(pyrrolidin-3-ylmethyl)morpholine
PubChem CID14627371
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name4-(pyrrolidin-3-ylmethyl)morpholine
SMILESC1CC(CN2CCOCC2)CN1
InChIInChI=1S/C9H18N2O/c1-2-10-7-9(1)8-11-3-5-12-6-4-11/h9-10H,1-8H2
InChIKeyJEQJKJPNFWHBRP-UHFFFAOYSA-N
XLogP-0.07
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(pyrrolidin-3-ylmethyl)morpholine?
The IUPAC name of 4-(pyrrolidin-3-ylmethyl)morpholine (CID 14627371) is 4-(pyrrolidin-3-ylmethyl)morpholine.
What is the SMILES notation for 4-(pyrrolidin-3-ylmethyl)morpholine?
The canonical SMILES for 4-(pyrrolidin-3-ylmethyl)morpholine is C1CC(CN2CCOCC2)CN1.
What is the InChIKey of 4-(pyrrolidin-3-ylmethyl)morpholine?
The InChIKey is JEQJKJPNFWHBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-2-10-7-9(1)8-11-3-5-12-6-4-11/h9-10H,1-8H2.
What are the key properties of 4-(pyrrolidin-3-ylmethyl)morpholine?
4-(pyrrolidin-3-ylmethyl)morpholine has a molecular weight of 170.26 g/mol, XLogP of -0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyrrolidin-3-ylmethyl)morpholine is sourced from PubChem (CID 14627371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).