4-(5-methoxycyclohepta-1,4,6-trien-1-yl)morpholine

C12H17NO2 — CID 142919990

IUPAC4-(5-methoxycyclohepta-1,4,6-trien-1-yl)morpholine
SMILESCOC1=CCC=C(N2CCOCC2)C=C1
InChIInChI=1S/C12H17NO2/c1-14-12-4-2-3-11(5-6-12)13-7-9-15-10-8-13/h3-6H,2,7-10H2,1H3
InChIKeyMYMRUJGWDWKSAI-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.69
Rot. Bonds2

About 4-(5-methoxycyclohepta-1,4,6-trien-1-yl)morpholine

4-(5-methoxycyclohepta-1,4,6-trien-1-yl)morpholine (PubChem CID 142919990) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 4-(5-methoxycyclohepta-1,4,6-trien-1-yl)morpholine.

Molecular Properties

Compound Name4-(5-methoxycyclohepta-1,4,6-trien-1-yl)morpholine
PubChem CID142919990
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name4-(5-methoxycyclohepta-1,4,6-trien-1-yl)morpholine
SMILESCOC1=CCC=C(N2CCOCC2)C=C1
InChIInChI=1S/C12H17NO2/c1-14-12-4-2-3-11(5-6-12)13-7-9-15-10-8-13/h3-6H,2,7-10H2,1H3
InChIKeyMYMRUJGWDWKSAI-UHFFFAOYSA-N
XLogP1.69
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-Methoxycyclohexa-1,5-dien-1-yl)morpholine
CID 12664081
4-(2H-pyran-5-yl)morpholine
CID 22493491
4-(4-Methoxyhexa-2,4-dien-3-yl)morpholine
CID 90799986
2,3-Di(ethylidene)-4-methylmorpholine
CID 91562621
4-(4-Ethoxyhexa-2,4-dien-3-yl)morpholine
CID 91592386
4-[(3E,5Z)-octa-1,3,5-trien-4-yl]morpholine
CID 118361628
4-Hexa-1,3-dien-2-ylmorpholine
CID 123214454
4-Hepta-2,4-dien-3-ylmorpholine
CID 123272752
4-(5-Methoxyhexa-3,5-dien-3-yl)morpholine
CID 123740206
3-But-2-enylidene-4-methyl-2-(3-methylbut-2-enylidene)morpholine
CID 123995320
2-Methyl-2,3,4,6-tetrahydrocyclohepta[b][1,4]oxazine
CID 130340457
6-methoxy-N-prop-1-en-2-yl-N-propylcyclohexa-1,5-dien-1-amine
CID 130420897

Frequently Asked Questions

What is the IUPAC name of 4-(5-methoxycyclohepta-1,4,6-trien-1-yl)morpholine?
The IUPAC name of 4-(5-methoxycyclohepta-1,4,6-trien-1-yl)morpholine (CID 142919990) is 4-(5-methoxycyclohepta-1,4,6-trien-1-yl)morpholine.
What is the SMILES notation for 4-(5-methoxycyclohepta-1,4,6-trien-1-yl)morpholine?
The canonical SMILES for 4-(5-methoxycyclohepta-1,4,6-trien-1-yl)morpholine is COC1=CCC=C(N2CCOCC2)C=C1.
What is the InChIKey of 4-(5-methoxycyclohepta-1,4,6-trien-1-yl)morpholine?
The InChIKey is MYMRUJGWDWKSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-14-12-4-2-3-11(5-6-12)13-7-9-15-10-8-13/h3-6H,2,7-10H2,1H3.
What are the key properties of 4-(5-methoxycyclohepta-1,4,6-trien-1-yl)morpholine?
4-(5-methoxycyclohepta-1,4,6-trien-1-yl)morpholine has a molecular weight of 207.27 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methoxycyclohepta-1,4,6-trien-1-yl)morpholine is sourced from PubChem (CID 142919990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).