4-[2-(imidazolidin-1-ylmethyl)but-2-enyl]morpholine

C12H23N3O — CID 70025514

IUPAC4-[2-(imidazolidin-1-ylmethyl)but-2-enyl]morpholine
SMILESCC=C(CN1CCOCC1)CN1CCNC1
InChIInChI=1S/C12H23N3O/c1-2-12(10-15-4-3-13-11-15)9-14-5-7-16-8-6-14/h2,13H,3-11H2,1H3
InChIKeyJKNKMHAWXCRFJZ-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.13
Rot. Bonds4

About 4-[2-(imidazolidin-1-ylmethyl)but-2-enyl]morpholine

4-[2-(imidazolidin-1-ylmethyl)but-2-enyl]morpholine (PubChem CID 70025514) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 4-[2-(imidazolidin-1-ylmethyl)but-2-enyl]morpholine.

Molecular Properties

Compound Name4-[2-(imidazolidin-1-ylmethyl)but-2-enyl]morpholine
PubChem CID70025514
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name4-[2-(imidazolidin-1-ylmethyl)but-2-enyl]morpholine
SMILESCC=C(CN1CCOCC1)CN1CCNC1
InChIInChI=1S/C12H23N3O/c1-2-12(10-15-4-3-13-11-15)9-14-5-7-16-8-6-14/h2,13H,3-11H2,1H3
InChIKeyJKNKMHAWXCRFJZ-UHFFFAOYSA-N
XLogP0.13
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(piperazin-1-ylmethyl)but-2-enyl]piperazine
CID 18547144
4-[2-(pyrrolidin-1-ylmethyl)but-2-enyl]morpholine
CID 70026725
1-[(Z)-2-(2-pyrrolidin-1-ylethyl)but-2-enyl]imidazolidine
CID 70025049
1-[(Z)-2-(2-piperazin-1-ylethyl)but-2-enyl]piperazine
CID 70026988
ethane;4-(2-piperazin-1-ylethyl)morpholine
CID 143985030
1-[2-(pyrrolidin-1-ylmethyl)prop-2-enyl]imidazolidine
CID 18547122
1-[(Z)-2-(2-piperidin-1-ylethyl)but-2-enyl]piperazine
CID 70026882
(E)-1-morpholin-4-ylpent-3-en-2-one
CID 146386174
1-[(Z)-2-benzylbut-2-enyl]piperazine
CID 22628674
2-methyl-3-morpholin-4-ylprop-1-en-1-one
CID 87850524
(1E,3E)-1-iodo-4-(piperazin-1-ylmethyl)hexa-1,3-dien-1-amine
CID 134406327
1-[(E)-2-ethylhex-2-enyl]piperazine
CID 20521851

Frequently Asked Questions

What is the IUPAC name of 4-[2-(imidazolidin-1-ylmethyl)but-2-enyl]morpholine?
The IUPAC name of 4-[2-(imidazolidin-1-ylmethyl)but-2-enyl]morpholine (CID 70025514) is 4-[2-(imidazolidin-1-ylmethyl)but-2-enyl]morpholine.
What is the SMILES notation for 4-[2-(imidazolidin-1-ylmethyl)but-2-enyl]morpholine?
The canonical SMILES for 4-[2-(imidazolidin-1-ylmethyl)but-2-enyl]morpholine is CC=C(CN1CCOCC1)CN1CCNC1.
What is the InChIKey of 4-[2-(imidazolidin-1-ylmethyl)but-2-enyl]morpholine?
The InChIKey is JKNKMHAWXCRFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-2-12(10-15-4-3-13-11-15)9-14-5-7-16-8-6-14/h2,13H,3-11H2,1H3.
What are the key properties of 4-[2-(imidazolidin-1-ylmethyl)but-2-enyl]morpholine?
4-[2-(imidazolidin-1-ylmethyl)but-2-enyl]morpholine has a molecular weight of 225.34 g/mol, XLogP of 0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(imidazolidin-1-ylmethyl)but-2-enyl]morpholine is sourced from PubChem (CID 70025514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).