2-methyl-4-morpholin-4-ylpentan-3-one

C10H19NO2 — CID 58638043

IUPAC2-methyl-4-morpholin-4-ylpentan-3-one
SMILESCC(C)C(=O)C(C)N1CCOCC1
InChIInChI=1S/C10H19NO2/c1-8(2)10(12)9(3)11-4-6-13-7-5-11/h8-9H,4-7H2,1-3H3
InChIKeyAEEJFNRYMFUWFL-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.93
Rot. Bonds3

About 2-methyl-4-morpholin-4-ylpentan-3-one

2-methyl-4-morpholin-4-ylpentan-3-one (PubChem CID 58638043) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-methyl-4-morpholin-4-ylpentan-3-one.

Molecular Properties

Compound Name2-methyl-4-morpholin-4-ylpentan-3-one
PubChem CID58638043
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name2-methyl-4-morpholin-4-ylpentan-3-one
SMILESCC(C)C(=O)C(C)N1CCOCC1
InChIInChI=1S/C10H19NO2/c1-8(2)10(12)9(3)11-4-6-13-7-5-11/h8-9H,4-7H2,1-3H3
InChIKeyAEEJFNRYMFUWFL-UHFFFAOYSA-N
XLogP0.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-morpholin-4-ylpentan-3-one?
The IUPAC name of 2-methyl-4-morpholin-4-ylpentan-3-one (CID 58638043) is 2-methyl-4-morpholin-4-ylpentan-3-one.
What is the SMILES notation for 2-methyl-4-morpholin-4-ylpentan-3-one?
The canonical SMILES for 2-methyl-4-morpholin-4-ylpentan-3-one is CC(C)C(=O)C(C)N1CCOCC1.
What is the InChIKey of 2-methyl-4-morpholin-4-ylpentan-3-one?
The InChIKey is AEEJFNRYMFUWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-8(2)10(12)9(3)11-4-6-13-7-5-11/h8-9H,4-7H2,1-3H3.
What are the key properties of 2-methyl-4-morpholin-4-ylpentan-3-one?
2-methyl-4-morpholin-4-ylpentan-3-one has a molecular weight of 185.27 g/mol, XLogP of 0.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-morpholin-4-ylpentan-3-one is sourced from PubChem (CID 58638043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).