(E)-1-morpholin-4-ylpent-3-en-2-one

C9H15NO2 — CID 146386174

IUPAC(E)-1-morpholin-4-ylpent-3-en-2-one
SMILESC/C=C/C(=O)CN1CCOCC1
InChIInChI=1S/C9H15NO2/c1-2-3-9(11)8-10-4-6-12-7-5-10/h2-3H,4-8H2,1H3/b3-2+
InChIKeyAJUCAJGSTOYKJA-NSCUHMNNSA-N
MW169.22 g/mol
LogP0.46
Rot. Bonds3

About (E)-1-morpholin-4-ylpent-3-en-2-one

(E)-1-morpholin-4-ylpent-3-en-2-one (PubChem CID 146386174) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is (E)-1-morpholin-4-ylpent-3-en-2-one.

Molecular Properties

Compound Name(E)-1-morpholin-4-ylpent-3-en-2-one
PubChem CID146386174
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name(E)-1-morpholin-4-ylpent-3-en-2-one
SMILESC/C=C/C(=O)CN1CCOCC1
InChIInChI=1S/C9H15NO2/c1-2-3-9(11)8-10-4-6-12-7-5-10/h2-3H,4-8H2,1H3/b3-2+
InChIKeyAJUCAJGSTOYKJA-NSCUHMNNSA-N
XLogP0.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-1-morpholin-4-ylpent-3-en-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-dimorpholin-4-ylpropan-2-one
CID 139559066
1-morpholin-4-ylpropan-2-one;hydrochloride
CID 67491798
methyl 2-morpholin-4-ylacetate
CID 1268178
ethane;(E)-1-morpholin-4-ylbut-2-en-1-one
CID 143019024
4-[2-(pyrrolidin-1-ylmethyl)but-2-enyl]morpholine
CID 70026725
S-(2-morpholin-4-ylacetyl)sulfanyl 2-morpholin-4-ylethanethioate
CID 57225107
3-methyl-4-morpholin-4-ylbut-2-enoic acid;hydrochloride
CID 134690671
ethane;N-methyl-2-morpholin-4-ylacetamide
CID 143296562
ethane;(E)-N-ethyl-2-(morpholin-4-ylmethyl)but-2-enamide
CID 177014355
sodium 3-methyl-4-morpholin-4-ylbut-2-enoate
CID 126782013
N'-methyl-2-morpholin-4-ylacetohydrazide
CID 142817300
2-[13,16-bis(carboxymethyl)-7-ethyl-1,10-dioxa-4,7,13,16-tetrazacyclooctadec-4-yl]acetic acid
CID 156838378

Frequently Asked Questions

What is the IUPAC name of (E)-1-morpholin-4-ylpent-3-en-2-one?
The IUPAC name of (E)-1-morpholin-4-ylpent-3-en-2-one (CID 146386174) is (E)-1-morpholin-4-ylpent-3-en-2-one.
What is the SMILES notation for (E)-1-morpholin-4-ylpent-3-en-2-one?
The canonical SMILES for (E)-1-morpholin-4-ylpent-3-en-2-one is C/C=C/C(=O)CN1CCOCC1.
What is the InChIKey of (E)-1-morpholin-4-ylpent-3-en-2-one?
The InChIKey is AJUCAJGSTOYKJA-NSCUHMNNSA-N. The full InChI is InChI=1S/C9H15NO2/c1-2-3-9(11)8-10-4-6-12-7-5-10/h2-3H,4-8H2,1H3/b3-2+.
What are the key properties of (E)-1-morpholin-4-ylpent-3-en-2-one?
(E)-1-morpholin-4-ylpent-3-en-2-one has a molecular weight of 169.22 g/mol, XLogP of 0.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-morpholin-4-ylpent-3-en-2-one is sourced from PubChem (CID 146386174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).