4-(7-methylcyclohepta-1,4,6-trien-1-yl)morpholine

C12H17NO — CID 142904528

IUPAC4-(7-methylcyclohepta-1,4,6-trien-1-yl)morpholine
SMILESCC1=CC=CCC=C1N1CCOCC1
InChIInChI=1S/C12H17NO/c1-11-5-3-2-4-6-12(11)13-7-9-14-10-8-13/h2-3,5-6H,4,7-10H2,1H3
InChIKeySSWRLQDNMDAJQG-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.11
Rot. Bonds1

About 4-(7-methylcyclohepta-1,4,6-trien-1-yl)morpholine

4-(7-methylcyclohepta-1,4,6-trien-1-yl)morpholine (PubChem CID 142904528) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 4-(7-methylcyclohepta-1,4,6-trien-1-yl)morpholine.

Molecular Properties

Compound Name4-(7-methylcyclohepta-1,4,6-trien-1-yl)morpholine
PubChem CID142904528
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name4-(7-methylcyclohepta-1,4,6-trien-1-yl)morpholine
SMILESCC1=CC=CCC=C1N1CCOCC1
InChIInChI=1S/C12H17NO/c1-11-5-3-2-4-6-12(11)13-7-9-14-10-8-13/h2-3,5-6H,4,7-10H2,1H3
InChIKeySSWRLQDNMDAJQG-UHFFFAOYSA-N
XLogP2.11
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1E,3E)-2-methylpenta-1,3-dienyl]morpholine
CID 10855873
4-[(E)-pent-2-en-3-yl]morpholine
CID 5839066
3-Morpholino-2-pentene
CID 10964743
4-(3-Methylbuta-1,3-dien-2-yl)morpholine
CID 11116257
4-[(2E)-5-methylhexa-2,4-dien-2-yl]morpholine
CID 12794203
4-(4,4-Dimethylcyclohexa-1,5-dien-1-yl)morpholine
CID 12856181
(e)-4-(2-Methyl-6-methyleneocta-2,7-dien-1-yl)morpholine
CID 137797148
(z)-4-(2-Methyl-6-methyleneocta-2,7-dien-1-yl)morpholine
CID 137797149
4-[(4Z)-4,5-difluoro-2,6-dimethylhepta-2,4,6-trien-3-yl]-2,6-dimethylmorpholine
CID 143325416
4-[(2E,4E)-6-methyl-5-(trifluoromethyl)hepta-2,4,6-trien-3-yl]morpholine
CID 144253116
4-[1-(6-Fluoro-4-methylcyclohexa-2,4-dien-1-yl)ethenyl]morpholine
CID 163449747
4-[(2Z,4Z)-2-fluoro-6-methylhepta-2,4,6-trien-3-yl]morpholine
CID 166687859

Frequently Asked Questions

What is the IUPAC name of 4-(7-methylcyclohepta-1,4,6-trien-1-yl)morpholine?
The IUPAC name of 4-(7-methylcyclohepta-1,4,6-trien-1-yl)morpholine (CID 142904528) is 4-(7-methylcyclohepta-1,4,6-trien-1-yl)morpholine.
What is the SMILES notation for 4-(7-methylcyclohepta-1,4,6-trien-1-yl)morpholine?
The canonical SMILES for 4-(7-methylcyclohepta-1,4,6-trien-1-yl)morpholine is CC1=CC=CCC=C1N1CCOCC1.
What is the InChIKey of 4-(7-methylcyclohepta-1,4,6-trien-1-yl)morpholine?
The InChIKey is SSWRLQDNMDAJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-11-5-3-2-4-6-12(11)13-7-9-14-10-8-13/h2-3,5-6H,4,7-10H2,1H3.
What are the key properties of 4-(7-methylcyclohepta-1,4,6-trien-1-yl)morpholine?
4-(7-methylcyclohepta-1,4,6-trien-1-yl)morpholine has a molecular weight of 191.27 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-methylcyclohepta-1,4,6-trien-1-yl)morpholine is sourced from PubChem (CID 142904528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).