(Z)-but-2-ene;ethane;4-methylmorpholine

C13H31NO — CID 143573072

IUPAC(Z)-but-2-ene;ethane;4-methylmorpholine
SMILESC/C=C\C.CC.CC.CN1CCOCC1
InChIInChI=1S/C5H11NO.C4H8.2C2H6/c1-6-2-4-7-5-3-6;1-3-4-2;2*1-2/h2-5H2,1H3;3-4H,1-2H3;2*1-2H3/b;4-3-;;
InChIKeyKCVRXLMEEAERET-MECAPONASA-N
MW217.40 g/mol
LogP3.58
Rot. Bonds

About (Z)-but-2-ene;ethane;4-methylmorpholine

(Z)-but-2-ene;ethane;4-methylmorpholine (PubChem CID 143573072) has the molecular formula C13H31NO and a molecular weight of 217.40 g/mol. Its IUPAC name is (Z)-but-2-ene;ethane;4-methylmorpholine.

Molecular Properties

Compound Name(Z)-but-2-ene;ethane;4-methylmorpholine
PubChem CID143573072
Molecular FormulaC13H31NO
Molecular Weight217.40 g/mol
Exact Mass217.24
IUPAC Name(Z)-but-2-ene;ethane;4-methylmorpholine
SMILESC/C=C\C.CC.CC.CN1CCOCC1
InChIInChI=1S/C5H11NO.C4H8.2C2H6/c1-6-2-4-7-5-3-6;1-3-4-2;2*1-2/h2-5H2,1H3;3-4H,1-2H3;2*1-2H3/b;4-3-;;
InChIKeyKCVRXLMEEAERET-MECAPONASA-N
XLogP3.58
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.40
LogP ≤ 53.58
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 (Z)-but-2-ene;ethane;4-methylmorpholine?
The IUPAC name of (Z)-but-2-ene;ethane;4-methylmorpholine (CID 143573072) is (Z)-but-2-ene;ethane;4-methylmorpholine.
What is the SMILES notation for (Z)-but-2-ene;ethane;4-methylmorpholine?
The canonical SMILES for (Z)-but-2-ene;ethane;4-methylmorpholine is C/C=C\C.CC.CC.CN1CCOCC1.
What is the InChIKey of (Z)-but-2-ene;ethane;4-methylmorpholine?
The InChIKey is KCVRXLMEEAERET-MECAPONASA-N. The full InChI is InChI=1S/C5H11NO.C4H8.2C2H6/c1-6-2-4-7-5-3-6;1-3-4-2;2*1-2/h2-5H2,1H3;3-4H,1-2H3;2*1-2H3/b;4-3-;;.
What are the key properties of (Z)-but-2-ene;ethane;4-methylmorpholine?
(Z)-but-2-ene;ethane;4-methylmorpholine has a molecular weight of 217.40 g/mol, XLogP of 3.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-ene;ethane;4-methylmorpholine is sourced from PubChem (CID 143573072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).