(E)-3-[(2R)-morpholin-2-yl]prop-2-enal

C7H11NO2 — CID 142350635

IUPAC(E)-3-[(2R)-morpholin-2-yl]prop-2-enal
SMILESO=C/C=C/[C@@H]1CNCCO1
InChIInChI=1S/C7H11NO2/c9-4-1-2-7-6-8-3-5-10-7/h1-2,4,7-8H,3,5-6H2/b2-1+/t7-/m1/s1
InChIKeyYDDVIKUZPZDSBA-QOHHWTFISA-N
MW141.17 g/mol
LogP-0.27
Rot. Bonds2

About (E)-3-[(2R)-morpholin-2-yl]prop-2-enal

(E)-3-[(2R)-morpholin-2-yl]prop-2-enal (PubChem CID 142350635) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is (E)-3-[(2R)-morpholin-2-yl]prop-2-enal.

Molecular Properties

Compound Name(E)-3-[(2R)-morpholin-2-yl]prop-2-enal
PubChem CID142350635
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name(E)-3-[(2R)-morpholin-2-yl]prop-2-enal
SMILESO=C/C=C/[C@@H]1CNCCO1
InChIInChI=1S/C7H11NO2/c9-4-1-2-7-6-8-3-5-10-7/h1-2,4,7-8H,3,5-6H2/b2-1+/t7-/m1/s1
InChIKeyYDDVIKUZPZDSBA-QOHHWTFISA-N
XLogP-0.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.27
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 (E)-3-[(2R)-morpholin-2-yl]prop-2-enal?
The IUPAC name of (E)-3-[(2R)-morpholin-2-yl]prop-2-enal (CID 142350635) is (E)-3-[(2R)-morpholin-2-yl]prop-2-enal.
What is the SMILES notation for (E)-3-[(2R)-morpholin-2-yl]prop-2-enal?
The canonical SMILES for (E)-3-[(2R)-morpholin-2-yl]prop-2-enal is O=C/C=C/[C@@H]1CNCCO1.
What is the InChIKey of (E)-3-[(2R)-morpholin-2-yl]prop-2-enal?
The InChIKey is YDDVIKUZPZDSBA-QOHHWTFISA-N. The full InChI is InChI=1S/C7H11NO2/c9-4-1-2-7-6-8-3-5-10-7/h1-2,4,7-8H,3,5-6H2/b2-1+/t7-/m1/s1.
What are the key properties of (E)-3-[(2R)-morpholin-2-yl]prop-2-enal?
(E)-3-[(2R)-morpholin-2-yl]prop-2-enal has a molecular weight of 141.17 g/mol, XLogP of -0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[(2R)-morpholin-2-yl]prop-2-enal is sourced from PubChem (CID 142350635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).