ethane;4-(2-methylprop-2-enyl)morpholine

C10H21NO — CID 142546553

IUPACethane;4-(2-methylprop-2-enyl)morpholine
SMILESC=C(C)CN1CCOCC1.CC
InChIInChI=1S/C8H15NO.C2H6/c1-8(2)7-9-3-5-10-6-4-9;1-2/h1,3-7H2,2H3;1-2H3
InChIKeyPDYHCZMYUVSRGH-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.92
Rot. Bonds2

About ethane;4-(2-methylprop-2-enyl)morpholine

ethane;4-(2-methylprop-2-enyl)morpholine (PubChem CID 142546553) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is ethane;4-(2-methylprop-2-enyl)morpholine.

Molecular Properties

Compound Nameethane;4-(2-methylprop-2-enyl)morpholine
PubChem CID142546553
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Nameethane;4-(2-methylprop-2-enyl)morpholine
SMILESC=C(C)CN1CCOCC1.CC
InChIInChI=1S/C8H15NO.C2H6/c1-8(2)7-9-3-5-10-6-4-9;1-2/h1,3-7H2,2H3;1-2H3
InChIKeyPDYHCZMYUVSRGH-UHFFFAOYSA-N
XLogP1.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;4-(2-methylprop-2-enyl)morpholine?
The IUPAC name of ethane;4-(2-methylprop-2-enyl)morpholine (CID 142546553) is ethane;4-(2-methylprop-2-enyl)morpholine.
What is the SMILES notation for ethane;4-(2-methylprop-2-enyl)morpholine?
The canonical SMILES for ethane;4-(2-methylprop-2-enyl)morpholine is C=C(C)CN1CCOCC1.CC.
What is the InChIKey of ethane;4-(2-methylprop-2-enyl)morpholine?
The InChIKey is PDYHCZMYUVSRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.C2H6/c1-8(2)7-9-3-5-10-6-4-9;1-2/h1,3-7H2,2H3;1-2H3.
What are the key properties of ethane;4-(2-methylprop-2-enyl)morpholine?
ethane;4-(2-methylprop-2-enyl)morpholine has a molecular weight of 171.28 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(2-methylprop-2-enyl)morpholine is sourced from PubChem (CID 142546553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).