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

C8H15NO3 — CID 142350634

IUPACmethanol;(E)-3-[(2R)-morpholin-2-yl]prop-2-enal
SMILESCO.O=C/C=C/[C@@H]1CNCCO1
InChIInChI=1S/C7H11NO2.CH4O/c9-4-1-2-7-6-8-3-5-10-7;1-2/h1-2,4,7-8H,3,5-6H2;2H,1H3/b2-1+;/t7-;/m1./s1
InChIKeyGYMJNIQBCUDGIC-FQOJAUPDSA-N
MW173.21 g/mol
LogP-0.66
Rot. Bonds2

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

methanol;(E)-3-[(2R)-morpholin-2-yl]prop-2-enal (PubChem CID 142350634) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is methanol;(E)-3-[(2R)-morpholin-2-yl]prop-2-enal.

Molecular Properties

Compound Namemethanol;(E)-3-[(2R)-morpholin-2-yl]prop-2-enal
PubChem CID142350634
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Namemethanol;(E)-3-[(2R)-morpholin-2-yl]prop-2-enal
SMILESCO.O=C/C=C/[C@@H]1CNCCO1
InChIInChI=1S/C7H11NO2.CH4O/c9-4-1-2-7-6-8-3-5-10-7;1-2/h1-2,4,7-8H,3,5-6H2;2H,1H3/b2-1+;/t7-;/m1./s1
InChIKeyGYMJNIQBCUDGIC-FQOJAUPDSA-N
XLogP-0.66
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 methanol;(E)-3-[(2R)-morpholin-2-yl]prop-2-enal?
The IUPAC name of methanol;(E)-3-[(2R)-morpholin-2-yl]prop-2-enal (CID 142350634) is methanol;(E)-3-[(2R)-morpholin-2-yl]prop-2-enal.
What is the SMILES notation for methanol;(E)-3-[(2R)-morpholin-2-yl]prop-2-enal?
The canonical SMILES for methanol;(E)-3-[(2R)-morpholin-2-yl]prop-2-enal is CO.O=C/C=C/[C@@H]1CNCCO1.
What is the InChIKey of methanol;(E)-3-[(2R)-morpholin-2-yl]prop-2-enal?
The InChIKey is GYMJNIQBCUDGIC-FQOJAUPDSA-N. The full InChI is InChI=1S/C7H11NO2.CH4O/c9-4-1-2-7-6-8-3-5-10-7;1-2/h1-2,4,7-8H,3,5-6H2;2H,1H3/b2-1+;/t7-;/m1./s1.
What are the key properties of methanol;(E)-3-[(2R)-morpholin-2-yl]prop-2-enal?
methanol;(E)-3-[(2R)-morpholin-2-yl]prop-2-enal has a molecular weight of 173.21 g/mol, XLogP of -0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;(E)-3-[(2R)-morpholin-2-yl]prop-2-enal is sourced from PubChem (CID 142350634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).