4-(3-methylpyrrolidin-3-yl)morpholine

C9H18N2O — CID 102921108

IUPAC4-(3-methylpyrrolidin-3-yl)morpholine
SMILESCC1(N2CCOCC2)CCNC1
InChIInChI=1S/C9H18N2O/c1-9(2-3-10-8-9)11-4-6-12-7-5-11/h10H,2-8H2,1H3
InChIKeyYGGJRODJLMWJBQ-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.07
Rot. Bonds1

About 4-(3-methylpyrrolidin-3-yl)morpholine

4-(3-methylpyrrolidin-3-yl)morpholine (PubChem CID 102921108) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 4-(3-methylpyrrolidin-3-yl)morpholine.

Molecular Properties

Compound Name4-(3-methylpyrrolidin-3-yl)morpholine
PubChem CID102921108
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name4-(3-methylpyrrolidin-3-yl)morpholine
SMILESCC1(N2CCOCC2)CCNC1
InChIInChI=1S/C9H18N2O/c1-9(2-3-10-8-9)11-4-6-12-7-5-11/h10H,2-8H2,1H3
InChIKeyYGGJRODJLMWJBQ-UHFFFAOYSA-N
XLogP0.07
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylpyrrolidin-3-yl)morpholine?
The IUPAC name of 4-(3-methylpyrrolidin-3-yl)morpholine (CID 102921108) is 4-(3-methylpyrrolidin-3-yl)morpholine.
What is the SMILES notation for 4-(3-methylpyrrolidin-3-yl)morpholine?
The canonical SMILES for 4-(3-methylpyrrolidin-3-yl)morpholine is CC1(N2CCOCC2)CCNC1.
What is the InChIKey of 4-(3-methylpyrrolidin-3-yl)morpholine?
The InChIKey is YGGJRODJLMWJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-9(2-3-10-8-9)11-4-6-12-7-5-11/h10H,2-8H2,1H3.
What are the key properties of 4-(3-methylpyrrolidin-3-yl)morpholine?
4-(3-methylpyrrolidin-3-yl)morpholine has a molecular weight of 170.26 g/mol, XLogP of 0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylpyrrolidin-3-yl)morpholine is sourced from PubChem (CID 102921108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).