hex-1-ene;morpholine

C10H21NO — CID 159835251

IUPAChex-1-ene;morpholine
SMILESC1COCCN1.C=CCCCC
InChIInChI=1S/C6H12.C4H9NO/c1-3-5-6-4-2;1-3-6-4-2-5-1/h3H,1,4-6H2,2H3;5H,1-4H2
InChIKeyNNZHTSATQMEFOM-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.97
Rot. Bonds3

About hex-1-ene;morpholine

hex-1-ene;morpholine (PubChem CID 159835251) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is hex-1-ene;morpholine.

Molecular Properties

Compound Namehex-1-ene;morpholine
PubChem CID159835251
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Namehex-1-ene;morpholine
SMILESC1COCCN1.C=CCCCC
InChIInChI=1S/C6H12.C4H9NO/c1-3-5-6-4-2;1-3-6-4-2-5-1/h3H,1,4-6H2,2H3;5H,1-4H2
InChIKeyNNZHTSATQMEFOM-UHFFFAOYSA-N
XLogP1.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hex-1-ene;morpholine?
The IUPAC name of hex-1-ene;morpholine (CID 159835251) is hex-1-ene;morpholine.
What is the SMILES notation for hex-1-ene;morpholine?
The canonical SMILES for hex-1-ene;morpholine is C1COCCN1.C=CCCCC.
What is the InChIKey of hex-1-ene;morpholine?
The InChIKey is NNZHTSATQMEFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.C4H9NO/c1-3-5-6-4-2;1-3-6-4-2-5-1/h3H,1,4-6H2,2H3;5H,1-4H2.
What are the key properties of hex-1-ene;morpholine?
hex-1-ene;morpholine has a molecular weight of 171.28 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hex-1-ene;morpholine is sourced from PubChem (CID 159835251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).