4-[(E)-4,4-dimethylpent-2-enyl]morpholine

C11H21NO — CID 21060370

IUPAC4-[(E)-4,4-dimethylpent-2-enyl]morpholine
SMILESCC(C)(C)/C=C/CN1CCOCC1
InChIInChI=1S/C11H21NO/c1-11(2,3)5-4-6-12-7-9-13-10-8-12/h4-5H,6-10H2,1-3H3/b5-4+
InChIKeyYMBZGQYGGIYFBH-SNAWJCMRSA-N
MW183.29 g/mol
LogP1.92
Rot. Bonds2

About 4-[(E)-4,4-dimethylpent-2-enyl]morpholine

4-[(E)-4,4-dimethylpent-2-enyl]morpholine (PubChem CID 21060370) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 4-[(E)-4,4-dimethylpent-2-enyl]morpholine.

Molecular Properties

Compound Name4-[(E)-4,4-dimethylpent-2-enyl]morpholine
PubChem CID21060370
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name4-[(E)-4,4-dimethylpent-2-enyl]morpholine
SMILESCC(C)(C)/C=C/CN1CCOCC1
InChIInChI=1S/C11H21NO/c1-11(2,3)5-4-6-12-7-9-13-10-8-12/h4-5H,6-10H2,1-3H3/b5-4+
InChIKeyYMBZGQYGGIYFBH-SNAWJCMRSA-N
XLogP1.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
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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Related Compounds

4-[(E)-but-2-enyl]morpholine
CID 10909666
4-(6-morpholin-4-ylhexa-2,4-dienyl)morpholine
CID 53425931
(E)-5-morpholin-4-ylpent-3-enal
CID 115013576
4-(3-methylsulfanylprop-2-enyl)morpholine
CID 123758851
4-[(E)-4-iodobut-2-enyl]morpholine
CID 118533798
4-[(E)-4-bromobut-2-enyl]morpholine
CID 118035457
(Z)-2,3-dimethyl-5-morpholin-4-ylpent-3-en-2-ol
CID 101251374
4-[(2Z,4Z)-4-methylhepta-2,4,6-trienyl]morpholine
CID 143805483
4-(3-ethylsulfonylprop-2-enyl)morpholine
CID 123509713
pentafluoro-[(E)-3-morpholin-4-ylprop-1-enyl]-λ6-sulfane
CID 132850244
4-[(E)-4-(4-iodo-3-methylpiperazin-1-yl)but-2-enyl]morpholine
CID 167185972
4-(2,2,11,11-tetramethyl-12-morpholin-4-yldodeca-3,9-dienyl)morpholine
CID 174958404

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-4,4-dimethylpent-2-enyl]morpholine?
The IUPAC name of 4-[(E)-4,4-dimethylpent-2-enyl]morpholine (CID 21060370) is 4-[(E)-4,4-dimethylpent-2-enyl]morpholine.
What is the SMILES notation for 4-[(E)-4,4-dimethylpent-2-enyl]morpholine?
The canonical SMILES for 4-[(E)-4,4-dimethylpent-2-enyl]morpholine is CC(C)(C)/C=C/CN1CCOCC1.
What is the InChIKey of 4-[(E)-4,4-dimethylpent-2-enyl]morpholine?
The InChIKey is YMBZGQYGGIYFBH-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H21NO/c1-11(2,3)5-4-6-12-7-9-13-10-8-12/h4-5H,6-10H2,1-3H3/b5-4+.
What are the key properties of 4-[(E)-4,4-dimethylpent-2-enyl]morpholine?
4-[(E)-4,4-dimethylpent-2-enyl]morpholine has a molecular weight of 183.29 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 4-[(E)-4,4-dimethylpent-2-enyl]morpholine is sourced from PubChem (CID 21060370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).