(E)-5-morpholin-4-ylpent-3-en-2-one

C9H15NO2 — CID 14765506

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

About (E)-5-morpholin-4-ylpent-3-en-2-one

(E)-5-morpholin-4-ylpent-3-en-2-one (PubChem CID 14765506) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is (E)-5-morpholin-4-ylpent-3-en-2-one.

Molecular Properties

Compound Name(E)-5-morpholin-4-ylpent-3-en-2-one
PubChem CID14765506
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name(E)-5-morpholin-4-ylpent-3-en-2-one
SMILESCC(=O)/C=C/CN1CCOCC1
InChIInChI=1S/C9H15NO2/c1-9(11)3-2-4-10-5-7-12-8-6-10/h2-3H,4-8H2,1H3/b3-2+
InChIKeyIQIKUPHDOWQNLF-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'}

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Related Compounds

(3E,5Z)-6-fluoro-6-morpholin-4-ylhexa-3,5-dien-2-one
CID 100919343
3-Penten-2-one, 4-morpholino-
CID 5373307
(E)-6-morpholin-4-ylhex-3-en-5-yn-2-one
CID 15253650
(3E,5Z)-6-chloro-6-morpholin-4-ylhexa-3,5-dien-2-one
CID 15254218
(E)-5-[4-[2-(2-fluoroethoxy)ethyl]piperazin-1-yl]pent-3-en-2-one
CID 124173954
(E)-6-[4-[2-(2-fluoroethoxy)ethyl]piperazin-1-yl]hex-4-en-3-one
CID 148193639
(E)-4-[4-(3,3,3-trifluoropropyl)morpholin-3-yl]but-3-en-2-one
CID 177231711
4-Morpholin-4-yl-pent-3-en-2-one
CID 592427
(Z)-4-morpholin-4-ylpent-3-en-2-one
CID 21160636
4-Methyl-5-morpholinopent-3-en-2-one
CID 129771446
(3E,5Z)-6-bromo-6-morpholin-4-ylhexa-3,5-dien-2-one
CID 134920762
(E)-1-morpholin-4-ylhex-2-en-1-one
CID 135042779

Frequently Asked Questions

What is the IUPAC name of (E)-5-morpholin-4-ylpent-3-en-2-one?
The IUPAC name of (E)-5-morpholin-4-ylpent-3-en-2-one (CID 14765506) is (E)-5-morpholin-4-ylpent-3-en-2-one.
What is the SMILES notation for (E)-5-morpholin-4-ylpent-3-en-2-one?
The canonical SMILES for (E)-5-morpholin-4-ylpent-3-en-2-one is CC(=O)/C=C/CN1CCOCC1.
What is the InChIKey of (E)-5-morpholin-4-ylpent-3-en-2-one?
The InChIKey is IQIKUPHDOWQNLF-NSCUHMNNSA-N. The full InChI is InChI=1S/C9H15NO2/c1-9(11)3-2-4-10-5-7-12-8-6-10/h2-3H,4-8H2,1H3/b3-2+.
What are the key properties of (E)-5-morpholin-4-ylpent-3-en-2-one?
(E)-5-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)-5-morpholin-4-ylpent-3-en-2-one is sourced from PubChem (CID 14765506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).