4-(5-chloro-3-methylpentyl)morpholin-3-one

C10H18ClNO2 — CID 79468949

IUPAC4-(5-chloro-3-methylpentyl)morpholin-3-one
SMILESCC(CCCl)CCN1CCOCC1=O
InChIInChI=1S/C10H18ClNO2/c1-9(2-4-11)3-5-12-6-7-14-8-10(12)13/h9H,2-8H2,1H3
InChIKeyATUKSLWXZZKLAG-UHFFFAOYSA-N
MW219.71 g/mol
LogP1.50
Rot. Bonds5

About 4-(5-chloro-3-methylpentyl)morpholin-3-one

4-(5-chloro-3-methylpentyl)morpholin-3-one (PubChem CID 79468949) has the molecular formula C10H18ClNO2 and a molecular weight of 219.71 g/mol. Its IUPAC name is 4-(5-chloro-3-methylpentyl)morpholin-3-one.

Molecular Properties

Compound Name4-(5-chloro-3-methylpentyl)morpholin-3-one
PubChem CID79468949
Molecular FormulaC10H18ClNO2
Molecular Weight219.71 g/mol
Exact Mass219.10
IUPAC Name4-(5-chloro-3-methylpentyl)morpholin-3-one
SMILESCC(CCCl)CCN1CCOCC1=O
InChIInChI=1S/C10H18ClNO2/c1-9(2-4-11)3-5-12-6-7-14-8-10(12)13/h9H,2-8H2,1H3
InChIKeyATUKSLWXZZKLAG-UHFFFAOYSA-N
XLogP1.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.71
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-3-methylpentyl)morpholin-3-one?
The IUPAC name of 4-(5-chloro-3-methylpentyl)morpholin-3-one (CID 79468949) is 4-(5-chloro-3-methylpentyl)morpholin-3-one.
What is the SMILES notation for 4-(5-chloro-3-methylpentyl)morpholin-3-one?
The canonical SMILES for 4-(5-chloro-3-methylpentyl)morpholin-3-one is CC(CCCl)CCN1CCOCC1=O.
What is the InChIKey of 4-(5-chloro-3-methylpentyl)morpholin-3-one?
The InChIKey is ATUKSLWXZZKLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO2/c1-9(2-4-11)3-5-12-6-7-14-8-10(12)13/h9H,2-8H2,1H3.
What are the key properties of 4-(5-chloro-3-methylpentyl)morpholin-3-one?
4-(5-chloro-3-methylpentyl)morpholin-3-one has a molecular weight of 219.71 g/mol, XLogP of 1.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-3-methylpentyl)morpholin-3-one is sourced from PubChem (CID 79468949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).