cyclobutanecarbonyl chloride;N-methoxy-N-methylcyclobutanecarboxamide;N-methylethanamine;hydrochloride

C15H30Cl2N2O3 — CID 161215070

IUPACcyclobutanecarbonyl chloride;N-methoxy-N-methylcyclobutanecarboxamide;N-methylethanamine;hydrochloride
SMILESCCNC.CON(C)C(=O)C1CCC1.Cl.O=C(Cl)C1CCC1
InChIInChI=1S/C7H13NO2.C5H7ClO.C3H9N.ClH/c1-8(10-2)7(9)6-4-3-5-6;6-5(7)4-2-1-3-4;1-3-4-2;/h6H,3-5H2,1-2H3;4H,1-3H2;4H,3H2,1-2H3;1H
InChIKeyBHRXFOBOVVYBLT-UHFFFAOYSA-N
MW357.32 g/mol
LogP3.01
Rot. Bonds4

About cyclobutanecarbonyl chloride;N-methoxy-N-methylcyclobutanecarboxamide;N-methylethanamine;hydrochloride

cyclobutanecarbonyl chloride;N-methoxy-N-methylcyclobutanecarboxamide;N-methylethanamine;hydrochloride (PubChem CID 161215070) has the molecular formula C15H30Cl2N2O3 and a molecular weight of 357.32 g/mol. Its IUPAC name is cyclobutanecarbonyl chloride;N-methoxy-N-methylcyclobutanecarboxamide;N-methylethanamine;hydrochloride.

Molecular Properties

Compound Namecyclobutanecarbonyl chloride;N-methoxy-N-methylcyclobutanecarboxamide;N-methylethanamine;hydrochloride
PubChem CID161215070
Molecular FormulaC15H30Cl2N2O3
Molecular Weight357.32 g/mol
Exact Mass356.16
IUPAC Namecyclobutanecarbonyl chloride;N-methoxy-N-methylcyclobutanecarboxamide;N-methylethanamine;hydrochloride
SMILESCCNC.CON(C)C(=O)C1CCC1.Cl.O=C(Cl)C1CCC1
InChIInChI=1S/C7H13NO2.C5H7ClO.C3H9N.ClH/c1-8(10-2)7(9)6-4-3-5-6;6-5(7)4-2-1-3-4;1-3-4-2;/h6H,3-5H2,1-2H3;4H,1-3H2;4H,3H2,1-2H3;1H
InChIKeyBHRXFOBOVVYBLT-UHFFFAOYSA-N
XLogP3.01
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.32
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclobutanecarbonyl chloride;N-methoxy-N-methylcyclobutanecarboxamide;N-methylethanamine;hydrochloride?
The IUPAC name of cyclobutanecarbonyl chloride;N-methoxy-N-methylcyclobutanecarboxamide;N-methylethanamine;hydrochloride (CID 161215070) is cyclobutanecarbonyl chloride;N-methoxy-N-methylcyclobutanecarboxamide;N-methylethanamine;hydrochloride.
What is the SMILES notation for cyclobutanecarbonyl chloride;N-methoxy-N-methylcyclobutanecarboxamide;N-methylethanamine;hydrochloride?
The canonical SMILES for cyclobutanecarbonyl chloride;N-methoxy-N-methylcyclobutanecarboxamide;N-methylethanamine;hydrochloride is CCNC.CON(C)C(=O)C1CCC1.Cl.O=C(Cl)C1CCC1.
What is the InChIKey of cyclobutanecarbonyl chloride;N-methoxy-N-methylcyclobutanecarboxamide;N-methylethanamine;hydrochloride?
The InChIKey is BHRXFOBOVVYBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.C5H7ClO.C3H9N.ClH/c1-8(10-2)7(9)6-4-3-5-6;6-5(7)4-2-1-3-4;1-3-4-2;/h6H,3-5H2,1-2H3;4H,1-3H2;4H,3H2,1-2H3;1H.
What are the key properties of cyclobutanecarbonyl chloride;N-methoxy-N-methylcyclobutanecarboxamide;N-methylethanamine;hydrochloride?
cyclobutanecarbonyl chloride;N-methoxy-N-methylcyclobutanecarboxamide;N-methylethanamine;hydrochloride has a molecular weight of 357.32 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutanecarbonyl chloride;N-methoxy-N-methylcyclobutanecarboxamide;N-methylethanamine;hydrochloride is sourced from PubChem (CID 161215070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).