4-[(2E)-2-pyrrolidin-3-ylideneethyl]morpholine

C10H18N2O — CID 115016235

IUPAC4-[(2E)-2-pyrrolidin-3-ylideneethyl]morpholine
SMILESC(\CN1CCOCC1)=C1\CCNC1
InChIInChI=1S/C10H18N2O/c1-3-11-9-10(1)2-4-12-5-7-13-8-6-12/h2,11H,1,3-9H2/b10-2+
InChIKeyCVLGDYYOFRNBCD-WTDSWWLTSA-N
MW182.27 g/mol
LogP0.24
Rot. Bonds2

About 4-[(2E)-2-pyrrolidin-3-ylideneethyl]morpholine

4-[(2E)-2-pyrrolidin-3-ylideneethyl]morpholine (PubChem CID 115016235) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 4-[(2E)-2-pyrrolidin-3-ylideneethyl]morpholine.

Molecular Properties

Compound Name4-[(2E)-2-pyrrolidin-3-ylideneethyl]morpholine
PubChem CID115016235
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name4-[(2E)-2-pyrrolidin-3-ylideneethyl]morpholine
SMILESC(\CN1CCOCC1)=C1\CCNC1
InChIInChI=1S/C10H18N2O/c1-3-11-9-10(1)2-4-12-5-7-13-8-6-12/h2,11H,1,3-9H2/b10-2+
InChIKeyCVLGDYYOFRNBCD-WTDSWWLTSA-N
XLogP0.24
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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(2Z,4Z)-4-(2-morpholin-4-ylethyl)hexa-2,4-dien-1-amine
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4-[2-(1,2,3,6-Tetrahydropyridin-4-yl)ethyl]morpholine
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4-(2-Piperidin-4-ylideneethyl)morpholine
CID 115020790
3-(Morpholin-4-ylmethyl)but-3-en-1-amine
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(2Z,4E)-4-(morpholin-4-ylmethyl)hepta-2,4-dien-1-amine
CID 143525197
N-methyl-1-[3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]propan-2-amine
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3-(Morpholin-4-ylmethyl)cyclopent-3-en-1-amine
CID 163638726
4-[(E)-3-[(2R)-1-methylpyrrolidin-1-ium-2-yl]prop-2-enyl]morpholin-4-ium
CID 7101401
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CID 11877862

Frequently Asked Questions

What is the IUPAC name of 4-[(2E)-2-pyrrolidin-3-ylideneethyl]morpholine?
The IUPAC name of 4-[(2E)-2-pyrrolidin-3-ylideneethyl]morpholine (CID 115016235) is 4-[(2E)-2-pyrrolidin-3-ylideneethyl]morpholine.
What is the SMILES notation for 4-[(2E)-2-pyrrolidin-3-ylideneethyl]morpholine?
The canonical SMILES for 4-[(2E)-2-pyrrolidin-3-ylideneethyl]morpholine is C(\CN1CCOCC1)=C1\CCNC1.
What is the InChIKey of 4-[(2E)-2-pyrrolidin-3-ylideneethyl]morpholine?
The InChIKey is CVLGDYYOFRNBCD-WTDSWWLTSA-N. The full InChI is InChI=1S/C10H18N2O/c1-3-11-9-10(1)2-4-12-5-7-13-8-6-12/h2,11H,1,3-9H2/b10-2+.
What are the key properties of 4-[(2E)-2-pyrrolidin-3-ylideneethyl]morpholine?
4-[(2E)-2-pyrrolidin-3-ylideneethyl]morpholine has a molecular weight of 182.27 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E)-2-pyrrolidin-3-ylideneethyl]morpholine is sourced from PubChem (CID 115016235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).