4-(1-pyrrolidin-1-ium-1-ylideneethyl)morpholine

C10H19N2O+ — CID 59360877

IUPAC4-(1-pyrrolidin-1-ium-1-ylideneethyl)morpholine
SMILESCC(N1CCOCC1)=[N+]1CCCC1
InChIInChI=1S/C10H19N2O/c1-10(11-4-2-3-5-11)12-6-8-13-9-7-12/h2-9H2,1H3/q+1
InChIKeyRFGHNPBZDKKITL-UHFFFAOYSA-N
MW183.27 g/mol
LogP0.54
Rot. Bonds

About 4-(1-pyrrolidin-1-ium-1-ylideneethyl)morpholine

4-(1-pyrrolidin-1-ium-1-ylideneethyl)morpholine (PubChem CID 59360877) has the molecular formula C10H19N2O+ and a molecular weight of 183.27 g/mol. Its IUPAC name is 4-(1-pyrrolidin-1-ium-1-ylideneethyl)morpholine.

Molecular Properties

Compound Name4-(1-pyrrolidin-1-ium-1-ylideneethyl)morpholine
PubChem CID59360877
Molecular FormulaC10H19N2O+
Molecular Weight183.27 g/mol
Exact Mass183.15
IUPAC Name4-(1-pyrrolidin-1-ium-1-ylideneethyl)morpholine
SMILESCC(N1CCOCC1)=[N+]1CCCC1
InChIInChI=1S/C10H19N2O/c1-10(11-4-2-3-5-11)12-6-8-13-9-7-12/h2-9H2,1H3/q+1
InChIKeyRFGHNPBZDKKITL-UHFFFAOYSA-N
XLogP0.54
TPSA15.48 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1-pyrrolidin-1-ium-1-ylideneethyl)morpholine?
The IUPAC name of 4-(1-pyrrolidin-1-ium-1-ylideneethyl)morpholine (CID 59360877) is 4-(1-pyrrolidin-1-ium-1-ylideneethyl)morpholine.
What is the SMILES notation for 4-(1-pyrrolidin-1-ium-1-ylideneethyl)morpholine?
The canonical SMILES for 4-(1-pyrrolidin-1-ium-1-ylideneethyl)morpholine is CC(N1CCOCC1)=[N+]1CCCC1.
What is the InChIKey of 4-(1-pyrrolidin-1-ium-1-ylideneethyl)morpholine?
The InChIKey is RFGHNPBZDKKITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N2O/c1-10(11-4-2-3-5-11)12-6-8-13-9-7-12/h2-9H2,1H3/q+1.
What are the key properties of 4-(1-pyrrolidin-1-ium-1-ylideneethyl)morpholine?
4-(1-pyrrolidin-1-ium-1-ylideneethyl)morpholine has a molecular weight of 183.27 g/mol, XLogP of 0.54, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-pyrrolidin-1-ium-1-ylideneethyl)morpholine is sourced from PubChem (CID 59360877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).