2-methyl-3-morpholin-2-ylprop-2-enal

C8H13NO2 — CID 174886174

IUPAC2-methyl-3-morpholin-2-ylprop-2-enal
SMILESCC(C=O)=CC1CNCCO1
InChIInChI=1S/C8H13NO2/c1-7(6-10)4-8-5-9-2-3-11-8/h4,6,8-9H,2-3,5H2,1H3
InChIKeyIWHPBPYPVVDXCL-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.12
Rot. Bonds2

About 2-methyl-3-morpholin-2-ylprop-2-enal

2-methyl-3-morpholin-2-ylprop-2-enal (PubChem CID 174886174) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-methyl-3-morpholin-2-ylprop-2-enal.

Molecular Properties

Compound Name2-methyl-3-morpholin-2-ylprop-2-enal
PubChem CID174886174
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name2-methyl-3-morpholin-2-ylprop-2-enal
SMILESCC(C=O)=CC1CNCCO1
InChIInChI=1S/C8H13NO2/c1-7(6-10)4-8-5-9-2-3-11-8/h4,6,8-9H,2-3,5H2,1H3
InChIKeyIWHPBPYPVVDXCL-UHFFFAOYSA-N
XLogP0.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-morpholin-2-ylprop-2-enal?
The IUPAC name of 2-methyl-3-morpholin-2-ylprop-2-enal (CID 174886174) is 2-methyl-3-morpholin-2-ylprop-2-enal.
What is the SMILES notation for 2-methyl-3-morpholin-2-ylprop-2-enal?
The canonical SMILES for 2-methyl-3-morpholin-2-ylprop-2-enal is CC(C=O)=CC1CNCCO1.
What is the InChIKey of 2-methyl-3-morpholin-2-ylprop-2-enal?
The InChIKey is IWHPBPYPVVDXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-7(6-10)4-8-5-9-2-3-11-8/h4,6,8-9H,2-3,5H2,1H3.
What are the key properties of 2-methyl-3-morpholin-2-ylprop-2-enal?
2-methyl-3-morpholin-2-ylprop-2-enal has a molecular weight of 155.20 g/mol, XLogP of 0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-morpholin-2-ylprop-2-enal is sourced from PubChem (CID 174886174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).