2-tert-butylmorpholine-4-carbonyl chloride

C9H16ClNO2 — CID 165491195

IUPAC2-tert-butylmorpholine-4-carbonyl chloride
SMILESCC(C)(C)C1CN(C(=O)Cl)CCO1
InChIInChI=1S/C9H16ClNO2/c1-9(2,3)7-6-11(8(10)12)4-5-13-7/h7H,4-6H2,1-3H3
InChIKeyBLHJWYMYAITHSA-UHFFFAOYSA-N
MW205.68 g/mol
LogP2.09
Rot. Bonds

About 2-tert-butylmorpholine-4-carbonyl chloride

2-tert-butylmorpholine-4-carbonyl chloride (PubChem CID 165491195) has the molecular formula C9H16ClNO2 and a molecular weight of 205.68 g/mol. Its IUPAC name is 2-tert-butylmorpholine-4-carbonyl chloride.

Molecular Properties

Compound Name2-tert-butylmorpholine-4-carbonyl chloride
PubChem CID165491195
Molecular FormulaC9H16ClNO2
Molecular Weight205.68 g/mol
Exact Mass205.09
IUPAC Name2-tert-butylmorpholine-4-carbonyl chloride
SMILESCC(C)(C)C1CN(C(=O)Cl)CCO1
InChIInChI=1S/C9H16ClNO2/c1-9(2,3)7-6-11(8(10)12)4-5-13-7/h7H,4-6H2,1-3H3
InChIKeyBLHJWYMYAITHSA-UHFFFAOYSA-N
XLogP2.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.68
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butylmorpholine-4-carbonyl chloride?
The IUPAC name of 2-tert-butylmorpholine-4-carbonyl chloride (CID 165491195) is 2-tert-butylmorpholine-4-carbonyl chloride.
What is the SMILES notation for 2-tert-butylmorpholine-4-carbonyl chloride?
The canonical SMILES for 2-tert-butylmorpholine-4-carbonyl chloride is CC(C)(C)C1CN(C(=O)Cl)CCO1.
What is the InChIKey of 2-tert-butylmorpholine-4-carbonyl chloride?
The InChIKey is BLHJWYMYAITHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNO2/c1-9(2,3)7-6-11(8(10)12)4-5-13-7/h7H,4-6H2,1-3H3.
What are the key properties of 2-tert-butylmorpholine-4-carbonyl chloride?
2-tert-butylmorpholine-4-carbonyl chloride has a molecular weight of 205.68 g/mol, XLogP of 2.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylmorpholine-4-carbonyl chloride is sourced from PubChem (CID 165491195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).