4-[(2Z,4E)-5-methylhepta-2,4-dien-3-yl]morpholine

C12H21NO — CID 24977664

IUPAC4-[(2Z,4E)-5-methylhepta-2,4-dien-3-yl]morpholine
SMILESC/C=C(/C=C(\C)CC)N1CCOCC1
InChIInChI=1S/C12H21NO/c1-4-11(3)10-12(5-2)13-6-8-14-9-7-13/h5,10H,4,6-9H2,1-3H3/b11-10+,12-5-
InChIKeyNZKQSSZPGDJFTI-FHTLJEAMSA-N
MW195.31 g/mol
LogP2.58
Rot. Bonds3

About 4-[(2Z,4E)-5-methylhepta-2,4-dien-3-yl]morpholine

4-[(2Z,4E)-5-methylhepta-2,4-dien-3-yl]morpholine (PubChem CID 24977664) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 4-[(2Z,4E)-5-methylhepta-2,4-dien-3-yl]morpholine.

Molecular Properties

Compound Name4-[(2Z,4E)-5-methylhepta-2,4-dien-3-yl]morpholine
PubChem CID24977664
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name4-[(2Z,4E)-5-methylhepta-2,4-dien-3-yl]morpholine
SMILESC/C=C(/C=C(\C)CC)N1CCOCC1
InChIInChI=1S/C12H21NO/c1-4-11(3)10-12(5-2)13-6-8-14-9-7-13/h5,10H,4,6-9H2,1-3H3/b11-10+,12-5-
InChIKeyNZKQSSZPGDJFTI-FHTLJEAMSA-N
XLogP2.58
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.58
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-[(2Z,4E)-5-methylhepta-2,4-dien-3-yl]morpholine?
The IUPAC name of 4-[(2Z,4E)-5-methylhepta-2,4-dien-3-yl]morpholine (CID 24977664) is 4-[(2Z,4E)-5-methylhepta-2,4-dien-3-yl]morpholine.
What is the SMILES notation for 4-[(2Z,4E)-5-methylhepta-2,4-dien-3-yl]morpholine?
The canonical SMILES for 4-[(2Z,4E)-5-methylhepta-2,4-dien-3-yl]morpholine is C/C=C(/C=C(\C)CC)N1CCOCC1.
What is the InChIKey of 4-[(2Z,4E)-5-methylhepta-2,4-dien-3-yl]morpholine?
The InChIKey is NZKQSSZPGDJFTI-FHTLJEAMSA-N. The full InChI is InChI=1S/C12H21NO/c1-4-11(3)10-12(5-2)13-6-8-14-9-7-13/h5,10H,4,6-9H2,1-3H3/b11-10+,12-5-.
What are the key properties of 4-[(2Z,4E)-5-methylhepta-2,4-dien-3-yl]morpholine?
4-[(2Z,4E)-5-methylhepta-2,4-dien-3-yl]morpholine has a molecular weight of 195.31 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2Z,4E)-5-methylhepta-2,4-dien-3-yl]morpholine is sourced from PubChem (CID 24977664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).