2-[(4-methylcyclohexa-1,5-dien-1-yl)methoxymethyl]morpholine

C13H21NO2 — CID 146246707

IUPAC2-[(4-methylcyclohexa-1,5-dien-1-yl)methoxymethyl]morpholine
SMILESCC1C=CC(COCC2CNCCO2)=CC1
InChIInChI=1S/C13H21NO2/c1-11-2-4-12(5-3-11)9-15-10-13-8-14-6-7-16-13/h2,4-5,11,13-14H,3,6-10H2,1H3
InChIKeyWMNXPGSNHFKSPO-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.51
Rot. Bonds4

About 2-[(4-methylcyclohexa-1,5-dien-1-yl)methoxymethyl]morpholine

2-[(4-methylcyclohexa-1,5-dien-1-yl)methoxymethyl]morpholine (PubChem CID 146246707) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[(4-methylcyclohexa-1,5-dien-1-yl)methoxymethyl]morpholine.

Molecular Properties

Compound Name2-[(4-methylcyclohexa-1,5-dien-1-yl)methoxymethyl]morpholine
PubChem CID146246707
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-[(4-methylcyclohexa-1,5-dien-1-yl)methoxymethyl]morpholine
SMILESCC1C=CC(COCC2CNCCO2)=CC1
InChIInChI=1S/C13H21NO2/c1-11-2-4-12(5-3-11)9-15-10-13-8-14-6-7-16-13/h2,4-5,11,13-14H,3,6-10H2,1H3
InChIKeyWMNXPGSNHFKSPO-UHFFFAOYSA-N
XLogP1.51
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,6S)-2-(3-methoxycyclohexa-2,4-dien-1-yl)-6-methylmorpholine
CID 68213109
(2S,6R)-2-(3-methoxycyclohexa-2,4-dien-1-yl)-6-methylmorpholine
CID 68213122
2-Hexa-1,3,5-trien-3-yl-6-methylmorpholine
CID 123662227
1-(1,6-dimethoxycyclohexa-2,4-dien-1-yl)-N-[(1,6-dimethoxycyclohexa-2,4-dien-1-yl)methyl]methanamine
CID 126664792
(2S,5S)-2-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-methylmorpholine
CID 129015398
(2S,5S)-2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-5-methylmorpholine
CID 135130030
2-[[(Z,1E)-1-(2-methylidenecyclopentylidene)but-2-enoxy]methyl]morpholine
CID 141814244
2-[(2,6-dimethyl-2,3,4,6-tetrahydro-1H-benzo[7]annulen-9-yl)oxymethyl]morpholine
CID 141814246
2-(3,8-Dihydroazulen-4-yloxymethyl)morpholine
CID 143020751
(2S)-2-[(1S,2E,4Z)-1-[(3E,5Z,7Z)-nona-1,3,5,7-tetraen-4-yl]oxy-2-[(Z)-prop-1-enyl]hexa-2,4-dienyl]morpholine
CID 143095938
(2S)-2-[(3E)-hexa-1,3,5-trien-3-yl]morpholine
CID 143489412
(2S)-2-cyclohexa-1,5-dien-1-ylmorpholine
CID 143659406

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylcyclohexa-1,5-dien-1-yl)methoxymethyl]morpholine?
The IUPAC name of 2-[(4-methylcyclohexa-1,5-dien-1-yl)methoxymethyl]morpholine (CID 146246707) is 2-[(4-methylcyclohexa-1,5-dien-1-yl)methoxymethyl]morpholine.
What is the SMILES notation for 2-[(4-methylcyclohexa-1,5-dien-1-yl)methoxymethyl]morpholine?
The canonical SMILES for 2-[(4-methylcyclohexa-1,5-dien-1-yl)methoxymethyl]morpholine is CC1C=CC(COCC2CNCCO2)=CC1.
What is the InChIKey of 2-[(4-methylcyclohexa-1,5-dien-1-yl)methoxymethyl]morpholine?
The InChIKey is WMNXPGSNHFKSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-11-2-4-12(5-3-11)9-15-10-13-8-14-6-7-16-13/h2,4-5,11,13-14H,3,6-10H2,1H3.
What are the key properties of 2-[(4-methylcyclohexa-1,5-dien-1-yl)methoxymethyl]morpholine?
2-[(4-methylcyclohexa-1,5-dien-1-yl)methoxymethyl]morpholine has a molecular weight of 223.32 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylcyclohexa-1,5-dien-1-yl)methoxymethyl]morpholine is sourced from PubChem (CID 146246707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).