4-(6-bromo-3-methylhepta-3,5-dien-2-yl)morpholine

C12H20BrNO — CID 91076846

IUPAC4-(6-bromo-3-methylhepta-3,5-dien-2-yl)morpholine
SMILESCC(Br)=CC=C(C)C(C)N1CCOCC1
InChIInChI=1S/C12H20BrNO/c1-10(4-5-11(2)13)12(3)14-6-8-15-9-7-14/h4-5,12H,6-9H2,1-3H3
InChIKeyBFCGMMDQMQCGJY-UHFFFAOYSA-N
MW274.20 g/mol
LogP2.95
Rot. Bonds3

About 4-(6-bromo-3-methylhepta-3,5-dien-2-yl)morpholine

4-(6-bromo-3-methylhepta-3,5-dien-2-yl)morpholine (PubChem CID 91076846) has the molecular formula C12H20BrNO and a molecular weight of 274.20 g/mol. Its IUPAC name is 4-(6-bromo-3-methylhepta-3,5-dien-2-yl)morpholine.

Molecular Properties

Compound Name4-(6-bromo-3-methylhepta-3,5-dien-2-yl)morpholine
PubChem CID91076846
Molecular FormulaC12H20BrNO
Molecular Weight274.20 g/mol
Exact Mass273.07
IUPAC Name4-(6-bromo-3-methylhepta-3,5-dien-2-yl)morpholine
SMILESCC(Br)=CC=C(C)C(C)N1CCOCC1
InChIInChI=1S/C12H20BrNO/c1-10(4-5-11(2)13)12(3)14-6-8-15-9-7-14/h4-5,12H,6-9H2,1-3H3
InChIKeyBFCGMMDQMQCGJY-UHFFFAOYSA-N
XLogP2.95
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.20
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(6-bromo-3-methylhepta-3,5-dien-2-yl)morpholine?
The IUPAC name of 4-(6-bromo-3-methylhepta-3,5-dien-2-yl)morpholine (CID 91076846) is 4-(6-bromo-3-methylhepta-3,5-dien-2-yl)morpholine.
What is the SMILES notation for 4-(6-bromo-3-methylhepta-3,5-dien-2-yl)morpholine?
The canonical SMILES for 4-(6-bromo-3-methylhepta-3,5-dien-2-yl)morpholine is CC(Br)=CC=C(C)C(C)N1CCOCC1.
What is the InChIKey of 4-(6-bromo-3-methylhepta-3,5-dien-2-yl)morpholine?
The InChIKey is BFCGMMDQMQCGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrNO/c1-10(4-5-11(2)13)12(3)14-6-8-15-9-7-14/h4-5,12H,6-9H2,1-3H3.
What are the key properties of 4-(6-bromo-3-methylhepta-3,5-dien-2-yl)morpholine?
4-(6-bromo-3-methylhepta-3,5-dien-2-yl)morpholine has a molecular weight of 274.20 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromo-3-methylhepta-3,5-dien-2-yl)morpholine is sourced from PubChem (CID 91076846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).