4-(3-methylbutyl)morpholin-3-one

C9H17NO2 — CID 58222536

IUPAC4-(3-methylbutyl)morpholin-3-one
SMILESCC(C)CCN1CCOCC1=O
InChIInChI=1S/C9H17NO2/c1-8(2)3-4-10-5-6-12-7-9(10)11/h8H,3-7H2,1-2H3
InChIKeyPZCUQSVUFYIQCN-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.89
Rot. Bonds3

About 4-(3-methylbutyl)morpholin-3-one

4-(3-methylbutyl)morpholin-3-one (PubChem CID 58222536) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 4-(3-methylbutyl)morpholin-3-one.

Molecular Properties

Compound Name4-(3-methylbutyl)morpholin-3-one
PubChem CID58222536
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name4-(3-methylbutyl)morpholin-3-one
SMILESCC(C)CCN1CCOCC1=O
InChIInChI=1S/C9H17NO2/c1-8(2)3-4-10-5-6-12-7-9(10)11/h8H,3-7H2,1-2H3
InChIKeyPZCUQSVUFYIQCN-UHFFFAOYSA-N
XLogP0.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutyl)morpholin-3-one?
The IUPAC name of 4-(3-methylbutyl)morpholin-3-one (CID 58222536) is 4-(3-methylbutyl)morpholin-3-one.
What is the SMILES notation for 4-(3-methylbutyl)morpholin-3-one?
The canonical SMILES for 4-(3-methylbutyl)morpholin-3-one is CC(C)CCN1CCOCC1=O.
What is the InChIKey of 4-(3-methylbutyl)morpholin-3-one?
The InChIKey is PZCUQSVUFYIQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-8(2)3-4-10-5-6-12-7-9(10)11/h8H,3-7H2,1-2H3.
What are the key properties of 4-(3-methylbutyl)morpholin-3-one?
4-(3-methylbutyl)morpholin-3-one has a molecular weight of 171.24 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutyl)morpholin-3-one is sourced from PubChem (CID 58222536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).