(2,3-dimethylcyclohexa-1,3-dien-1-yl)-morpholin-4-ylmethanone

C13H19NO2 — CID 123330023

IUPAC(2,3-dimethylcyclohexa-1,3-dien-1-yl)-morpholin-4-ylmethanone
SMILESCC1=CCCC(C(=O)N2CCOCC2)=C1C
InChIInChI=1S/C13H19NO2/c1-10-4-3-5-12(11(10)2)13(15)14-6-8-16-9-7-14/h4H,3,5-9H2,1-2H3
InChIKeyFCWFIFAWMVTXMT-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.90
Rot. Bonds1

About (2,3-dimethylcyclohexa-1,3-dien-1-yl)-morpholin-4-ylmethanone

(2,3-dimethylcyclohexa-1,3-dien-1-yl)-morpholin-4-ylmethanone (PubChem CID 123330023) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is (2,3-dimethylcyclohexa-1,3-dien-1-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(2,3-dimethylcyclohexa-1,3-dien-1-yl)-morpholin-4-ylmethanone
PubChem CID123330023
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name(2,3-dimethylcyclohexa-1,3-dien-1-yl)-morpholin-4-ylmethanone
SMILESCC1=CCCC(C(=O)N2CCOCC2)=C1C
InChIInChI=1S/C13H19NO2/c1-10-4-3-5-12(11(10)2)13(15)14-6-8-16-9-7-14/h4H,3,5-9H2,1-2H3
InChIKeyFCWFIFAWMVTXMT-UHFFFAOYSA-N
XLogP1.90
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylcyclohexa-1,3-dien-1-yl)-morpholin-4-ylmethanone?
The IUPAC name of (2,3-dimethylcyclohexa-1,3-dien-1-yl)-morpholin-4-ylmethanone (CID 123330023) is (2,3-dimethylcyclohexa-1,3-dien-1-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (2,3-dimethylcyclohexa-1,3-dien-1-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (2,3-dimethylcyclohexa-1,3-dien-1-yl)-morpholin-4-ylmethanone is CC1=CCCC(C(=O)N2CCOCC2)=C1C.
What is the InChIKey of (2,3-dimethylcyclohexa-1,3-dien-1-yl)-morpholin-4-ylmethanone?
The InChIKey is FCWFIFAWMVTXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10-4-3-5-12(11(10)2)13(15)14-6-8-16-9-7-14/h4H,3,5-9H2,1-2H3.
What are the key properties of (2,3-dimethylcyclohexa-1,3-dien-1-yl)-morpholin-4-ylmethanone?
(2,3-dimethylcyclohexa-1,3-dien-1-yl)-morpholin-4-ylmethanone has a molecular weight of 221.30 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylcyclohexa-1,3-dien-1-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 123330023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).