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

C13H24N2O — CID 70026725

IUPAC4-[2-(pyrrolidin-1-ylmethyl)but-2-enyl]morpholine
SMILESCC=C(CN1CCCC1)CN1CCOCC1
InChIInChI=1S/C13H24N2O/c1-2-13(11-14-5-3-4-6-14)12-15-7-9-16-10-8-15/h2H,3-12H2,1H3
InChIKeyLZECSXCUUKFFGB-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.36
Rot. Bonds4

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

4-[2-(pyrrolidin-1-ylmethyl)but-2-enyl]morpholine (PubChem CID 70026725) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 4-[2-(pyrrolidin-1-ylmethyl)but-2-enyl]morpholine.

Molecular Properties

Compound Name4-[2-(pyrrolidin-1-ylmethyl)but-2-enyl]morpholine
PubChem CID70026725
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name4-[2-(pyrrolidin-1-ylmethyl)but-2-enyl]morpholine
SMILESCC=C(CN1CCCC1)CN1CCOCC1
InChIInChI=1S/C13H24N2O/c1-2-13(11-14-5-3-4-6-14)12-15-7-9-16-10-8-15/h2H,3-12H2,1H3
InChIKeyLZECSXCUUKFFGB-UHFFFAOYSA-N
XLogP1.36
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(imidazolidin-1-ylmethyl)but-2-enyl]morpholine
CID 70025514
1-[(E)-2-ethylbut-2-enyl]pyrrolidine
CID 70169991
(E)-1-morpholin-4-ylpent-3-en-2-one
CID 146386174
1-[(Z)-2-(azidomethyl)but-2-enyl]piperidine
CID 18547027
4-ethyl-1,4-oxazocane
CID 123629290
1-[2-(piperazin-1-ylmethyl)but-2-enyl]piperazine
CID 18547144
4-[(Z)-4,4,4-trifluoro-2-(fluoromethyl)but-2-enyl]morpholine
CID 155323199
1,3-dimorpholin-4-ylpropan-2-one
CID 139559066
CID 59303797
CID 59303797
2-[7,14-bis(carboxymethyl)-1,4-dioxa-7,10,14-triazacyclohexadec-10-yl]acetic acid
CID 101053388
1-morpholin-4-ylpropan-2-one;hydrochloride
CID 67491798
potassium trifluoro-[3-(1,4-oxazepan-4-yl)prop-1-en-2-yl]boranuide
CID 106746009

Frequently Asked Questions

What is the IUPAC name of 4-[2-(pyrrolidin-1-ylmethyl)but-2-enyl]morpholine?
The IUPAC name of 4-[2-(pyrrolidin-1-ylmethyl)but-2-enyl]morpholine (CID 70026725) is 4-[2-(pyrrolidin-1-ylmethyl)but-2-enyl]morpholine.
What is the SMILES notation for 4-[2-(pyrrolidin-1-ylmethyl)but-2-enyl]morpholine?
The canonical SMILES for 4-[2-(pyrrolidin-1-ylmethyl)but-2-enyl]morpholine is CC=C(CN1CCCC1)CN1CCOCC1.
What is the InChIKey of 4-[2-(pyrrolidin-1-ylmethyl)but-2-enyl]morpholine?
The InChIKey is LZECSXCUUKFFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-2-13(11-14-5-3-4-6-14)12-15-7-9-16-10-8-15/h2H,3-12H2,1H3.
What are the key properties of 4-[2-(pyrrolidin-1-ylmethyl)but-2-enyl]morpholine?
4-[2-(pyrrolidin-1-ylmethyl)but-2-enyl]morpholine has a molecular weight of 224.35 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(pyrrolidin-1-ylmethyl)but-2-enyl]morpholine is sourced from PubChem (CID 70026725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).