2-(morpholin-4-ylmethyl)-2-prop-2-enylcyclohexan-1-one chloride

C14H23ClNO2- — CID 21204649

IUPAC2-(morpholin-4-ylmethyl)-2-prop-2-enylcyclohexan-1-one chloride
SMILESC=CCC1(CN2CCOCC2)CCCCC1=O.[Cl-]
InChIInChI=1S/C14H23NO2.ClH/c1-2-6-14(7-4-3-5-13(14)16)12-15-8-10-17-11-9-15;/h2H,1,3-12H2;1H/p-1
InChIKeySLMWBJWDXNQFTN-UHFFFAOYSA-M
MW272.80 g/mol
LogP-0.97
Rot. Bonds4

About 2-(morpholin-4-ylmethyl)-2-prop-2-enylcyclohexan-1-one chloride

2-(morpholin-4-ylmethyl)-2-prop-2-enylcyclohexan-1-one chloride (PubChem CID 21204649) has the molecular formula C14H23ClNO2- and a molecular weight of 272.80 g/mol. Its IUPAC name is 2-(morpholin-4-ylmethyl)-2-prop-2-enylcyclohexan-1-one chloride.

Molecular Properties

Compound Name2-(morpholin-4-ylmethyl)-2-prop-2-enylcyclohexan-1-one chloride
PubChem CID21204649
Molecular FormulaC14H23ClNO2-
Molecular Weight272.80 g/mol
Exact Mass272.14
IUPAC Name2-(morpholin-4-ylmethyl)-2-prop-2-enylcyclohexan-1-one chloride
SMILESC=CCC1(CN2CCOCC2)CCCCC1=O.[Cl-]
InChIInChI=1S/C14H23NO2.ClH/c1-2-6-14(7-4-3-5-13(14)16)12-15-8-10-17-11-9-15;/h2H,1,3-12H2;1H/p-1
InChIKeySLMWBJWDXNQFTN-UHFFFAOYSA-M
XLogP-0.97
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.80
LogP ≤ 5-0.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(morpholin-4-ylmethyl)-2-prop-2-enylcyclohexan-1-one chloride?
The IUPAC name of 2-(morpholin-4-ylmethyl)-2-prop-2-enylcyclohexan-1-one chloride (CID 21204649) is 2-(morpholin-4-ylmethyl)-2-prop-2-enylcyclohexan-1-one chloride.
What is the SMILES notation for 2-(morpholin-4-ylmethyl)-2-prop-2-enylcyclohexan-1-one chloride?
The canonical SMILES for 2-(morpholin-4-ylmethyl)-2-prop-2-enylcyclohexan-1-one chloride is C=CCC1(CN2CCOCC2)CCCCC1=O.[Cl-].
What is the InChIKey of 2-(morpholin-4-ylmethyl)-2-prop-2-enylcyclohexan-1-one chloride?
The InChIKey is SLMWBJWDXNQFTN-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H23NO2.ClH/c1-2-6-14(7-4-3-5-13(14)16)12-15-8-10-17-11-9-15;/h2H,1,3-12H2;1H/p-1.
What are the key properties of 2-(morpholin-4-ylmethyl)-2-prop-2-enylcyclohexan-1-one chloride?
2-(morpholin-4-ylmethyl)-2-prop-2-enylcyclohexan-1-one chloride has a molecular weight of 272.80 g/mol, XLogP of -0.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(morpholin-4-ylmethyl)-2-prop-2-enylcyclohexan-1-one chloride is sourced from PubChem (CID 21204649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).