4-[(2-methoxycyclohepta-1,3,5,6-tetraen-1-yl)methyl]morpholine

C13H17NO2 — CID 143482938

IUPAC4-[(2-methoxycyclohepta-1,3,5,6-tetraen-1-yl)methyl]morpholine
SMILESCOC1=C(CN2CCOCC2)C=C=CC=C1
InChIInChI=1S/C13H17NO2/c1-15-13-6-4-2-3-5-12(13)11-14-7-9-16-10-8-14/h2,4-6H,7-11H2,1H3
InChIKeyFEHWEAVRCJOYSF-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.50
Rot. Bonds3

About 4-[(2-methoxycyclohepta-1,3,5,6-tetraen-1-yl)methyl]morpholine

4-[(2-methoxycyclohepta-1,3,5,6-tetraen-1-yl)methyl]morpholine (PubChem CID 143482938) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 4-[(2-methoxycyclohepta-1,3,5,6-tetraen-1-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(2-methoxycyclohepta-1,3,5,6-tetraen-1-yl)methyl]morpholine
PubChem CID143482938
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name4-[(2-methoxycyclohepta-1,3,5,6-tetraen-1-yl)methyl]morpholine
SMILESCOC1=C(CN2CCOCC2)C=C=CC=C1
InChIInChI=1S/C13H17NO2/c1-15-13-6-4-2-3-5-12(13)11-14-7-9-16-10-8-14/h2,4-6H,7-11H2,1H3
InChIKeyFEHWEAVRCJOYSF-UHFFFAOYSA-N
XLogP1.50
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3E)-5-methoxy-3-methylpenta-1,3-dien-2-yl]morpholine
CID 10932405
3-But-2-enylidene-4-methyl-2-(3-methylbut-2-enylidene)morpholine
CID 123995320
N,N-dimethyl-2-(7-methylcyclohepta-1,4,6-trien-1-yl)oxypropan-1-amine
CID 129059990
1-[2-[(3Z)-4-methylhexa-1,3,5-trien-3-yl]oxyethyl]piperidine
CID 134485009
4-[(2Z,4E)-4-(1-methoxyethyl)hexa-2,4-dienyl]morpholine
CID 138636356
4-[3-[(3Z)-penta-1,3-dien-2-yl]oxypropyl]morpholine
CID 138716471
5,10,10-Trimethyl-2-oxa-5-azabicyclo[5.5.0]dodeca-1(7),8,11-triene
CID 141922016
N-ethyl-N-[2-(4-methylcyclohepta-1,3,6-trien-1-yl)oxyethyl]propan-1-amine
CID 142097266
4-[3-[(2Z,4Z)-4-methylhexa-2,4-dienoxy]propyl]morpholine
CID 142097271
4-[2-(4-Methylcyclohepta-1,3,6-trien-1-yl)oxyethyl]morpholine
CID 142097272
5,10-Dimethyl-2-oxa-5-azabicyclo[5.5.0]dodeca-1(7),8,11-triene
CID 142260943
6,7-bis(ethenyl)-4-ethyl-3,5-dihydro-2H-1,4-oxazepine
CID 142483680

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxycyclohepta-1,3,5,6-tetraen-1-yl)methyl]morpholine?
The IUPAC name of 4-[(2-methoxycyclohepta-1,3,5,6-tetraen-1-yl)methyl]morpholine (CID 143482938) is 4-[(2-methoxycyclohepta-1,3,5,6-tetraen-1-yl)methyl]morpholine.
What is the SMILES notation for 4-[(2-methoxycyclohepta-1,3,5,6-tetraen-1-yl)methyl]morpholine?
The canonical SMILES for 4-[(2-methoxycyclohepta-1,3,5,6-tetraen-1-yl)methyl]morpholine is COC1=C(CN2CCOCC2)C=C=CC=C1.
What is the InChIKey of 4-[(2-methoxycyclohepta-1,3,5,6-tetraen-1-yl)methyl]morpholine?
The InChIKey is FEHWEAVRCJOYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-15-13-6-4-2-3-5-12(13)11-14-7-9-16-10-8-14/h2,4-6H,7-11H2,1H3.
What are the key properties of 4-[(2-methoxycyclohepta-1,3,5,6-tetraen-1-yl)methyl]morpholine?
4-[(2-methoxycyclohepta-1,3,5,6-tetraen-1-yl)methyl]morpholine has a molecular weight of 219.28 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxycyclohepta-1,3,5,6-tetraen-1-yl)methyl]morpholine is sourced from PubChem (CID 143482938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).