(2Z)-2-butylidenemorpholin-4-ium chloride

C8H16ClNO — CID 146018388

IUPAC(2Z)-2-butylidenemorpholin-4-ium chloride
SMILESCCC/C=C1/C[NH2+]CCO1.[Cl-]
InChIInChI=1S/C8H15NO.ClH/c1-2-3-4-8-7-9-5-6-10-8;/h4,9H,2-3,5-7H2,1H3;1H/b8-4-;
InChIKeyQNIXWYFVHNAYOQ-ZYFYRQFPSA-N
MW177.67 g/mol
LogP-2.73
Rot. Bonds2

About (2Z)-2-butylidenemorpholin-4-ium chloride

(2Z)-2-butylidenemorpholin-4-ium chloride (PubChem CID 146018388) has the molecular formula C8H16ClNO and a molecular weight of 177.67 g/mol. Its IUPAC name is (2Z)-2-butylidenemorpholin-4-ium chloride.

Molecular Properties

Compound Name(2Z)-2-butylidenemorpholin-4-ium chloride
PubChem CID146018388
Molecular FormulaC8H16ClNO
Molecular Weight177.67 g/mol
Exact Mass177.09
IUPAC Name(2Z)-2-butylidenemorpholin-4-ium chloride
SMILESCCC/C=C1/C[NH2+]CCO1.[Cl-]
InChIInChI=1S/C8H15NO.ClH/c1-2-3-4-8-7-9-5-6-10-8;/h4,9H,2-3,5-7H2,1H3;1H/b8-4-;
InChIKeyQNIXWYFVHNAYOQ-ZYFYRQFPSA-N
XLogP-2.73
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.67
LogP ≤ 5-2.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-butylidenemorpholin-4-ium chloride?
The IUPAC name of (2Z)-2-butylidenemorpholin-4-ium chloride (CID 146018388) is (2Z)-2-butylidenemorpholin-4-ium chloride.
What is the SMILES notation for (2Z)-2-butylidenemorpholin-4-ium chloride?
The canonical SMILES for (2Z)-2-butylidenemorpholin-4-ium chloride is CCC/C=C1/C[NH2+]CCO1.[Cl-].
What is the InChIKey of (2Z)-2-butylidenemorpholin-4-ium chloride?
The InChIKey is QNIXWYFVHNAYOQ-ZYFYRQFPSA-N. The full InChI is InChI=1S/C8H15NO.ClH/c1-2-3-4-8-7-9-5-6-10-8;/h4,9H,2-3,5-7H2,1H3;1H/b8-4-;.
What are the key properties of (2Z)-2-butylidenemorpholin-4-ium chloride?
(2Z)-2-butylidenemorpholin-4-ium chloride has a molecular weight of 177.67 g/mol, XLogP of -2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-butylidenemorpholin-4-ium chloride is sourced from PubChem (CID 146018388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).