(4-methylcyclohexa-1,5-dien-1-yl)-morpholin-4-ylmethanone

C12H17NO2 — CID 123549696

IUPAC(4-methylcyclohexa-1,5-dien-1-yl)-morpholin-4-ylmethanone
SMILESCC1C=CC(C(=O)N2CCOCC2)=CC1
InChIInChI=1S/C12H17NO2/c1-10-2-4-11(5-3-10)12(14)13-6-8-15-9-7-13/h2,4-5,10H,3,6-9H2,1H3
InChIKeyBSJKGIHTKCESTR-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.37
Rot. Bonds1

About (4-methylcyclohexa-1,5-dien-1-yl)-morpholin-4-ylmethanone

(4-methylcyclohexa-1,5-dien-1-yl)-morpholin-4-ylmethanone (PubChem CID 123549696) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is (4-methylcyclohexa-1,5-dien-1-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(4-methylcyclohexa-1,5-dien-1-yl)-morpholin-4-ylmethanone
PubChem CID123549696
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name(4-methylcyclohexa-1,5-dien-1-yl)-morpholin-4-ylmethanone
SMILESCC1C=CC(C(=O)N2CCOCC2)=CC1
InChIInChI=1S/C12H17NO2/c1-10-2-4-11(5-3-10)12(14)13-6-8-15-9-7-13/h2,4-5,10H,3,6-9H2,1H3
InChIKeyBSJKGIHTKCESTR-UHFFFAOYSA-N
XLogP1.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-methylcyclohexa-1,5-dien-1-yl)-morpholin-4-ylmethanone?
The IUPAC name of (4-methylcyclohexa-1,5-dien-1-yl)-morpholin-4-ylmethanone (CID 123549696) is (4-methylcyclohexa-1,5-dien-1-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (4-methylcyclohexa-1,5-dien-1-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (4-methylcyclohexa-1,5-dien-1-yl)-morpholin-4-ylmethanone is CC1C=CC(C(=O)N2CCOCC2)=CC1.
What is the InChIKey of (4-methylcyclohexa-1,5-dien-1-yl)-morpholin-4-ylmethanone?
The InChIKey is BSJKGIHTKCESTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-10-2-4-11(5-3-10)12(14)13-6-8-15-9-7-13/h2,4-5,10H,3,6-9H2,1H3.
What are the key properties of (4-methylcyclohexa-1,5-dien-1-yl)-morpholin-4-ylmethanone?
(4-methylcyclohexa-1,5-dien-1-yl)-morpholin-4-ylmethanone has a molecular weight of 207.27 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylcyclohexa-1,5-dien-1-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 123549696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).