(E)-3-(morpholin-4-ylmethyl)pent-3-en-2-one

C10H17NO2 — CID 177013641

IUPAC(E)-3-(morpholin-4-ylmethyl)pent-3-en-2-one
SMILESC/C=C(\CN1CCOCC1)C(C)=O
InChIInChI=1S/C10H17NO2/c1-3-10(9(2)12)8-11-4-6-13-7-5-11/h3H,4-8H2,1-2H3/b10-3+
InChIKeyBWCPQFSWGHCAEL-XCVCLJGOSA-N
MW183.25 g/mol
LogP0.85
Rot. Bonds3

About (E)-3-(morpholin-4-ylmethyl)pent-3-en-2-one

(E)-3-(morpholin-4-ylmethyl)pent-3-en-2-one (PubChem CID 177013641) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (E)-3-(morpholin-4-ylmethyl)pent-3-en-2-one.

Molecular Properties

Compound Name(E)-3-(morpholin-4-ylmethyl)pent-3-en-2-one
PubChem CID177013641
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(E)-3-(morpholin-4-ylmethyl)pent-3-en-2-one
SMILESC/C=C(\CN1CCOCC1)C(C)=O
InChIInChI=1S/C10H17NO2/c1-3-10(9(2)12)8-11-4-6-13-7-5-11/h3H,4-8H2,1-2H3/b10-3+
InChIKeyBWCPQFSWGHCAEL-XCVCLJGOSA-N
XLogP0.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.85
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

1-(2,6-Dimethylmorpholin-4-yl)-2-methylpent-2-en-1-one
CID 71897557
2-Methyl-5-morpholin-4-ylpent-2-enoyl fluoride
CID 140393512
(E)-2-methyl-1-morpholin-4-ylpent-2-en-1-one
CID 14773869
(E)-2,4,4-trimethyl-1-morpholin-4-ylpent-2-en-1-one
CID 102594206
4-Methyl-5-morpholinopent-3-en-2-one
CID 129771446
5-Methyl-1-morpholino-4-hexen-3-one hydrochloride
CID 3028622
2-(Morpholin-4-ylmethyl)cyclohex-2-en-1-one
CID 12487599
(E)-5-morpholin-4-ylpent-3-en-2-one
CID 14765506
(E)-6-morpholin-4-ylhex-4-en-3-one
CID 14765507
(E)-2-methyl-6-morpholin-4-ylhex-4-en-3-one
CID 14765509
2,3,5-Trimethyl-6-(morpholin-4-ylmethyl)cyclohexa-2,5-diene-1,4-dione
CID 20537745
ethyl 2-(5-acetyl-3,6-dihydro-2H-pyridin-1-yl)acetate
CID 20802886

Frequently Asked Questions

What is the IUPAC name of (E)-3-(morpholin-4-ylmethyl)pent-3-en-2-one?
The IUPAC name of (E)-3-(morpholin-4-ylmethyl)pent-3-en-2-one (CID 177013641) is (E)-3-(morpholin-4-ylmethyl)pent-3-en-2-one.
What is the SMILES notation for (E)-3-(morpholin-4-ylmethyl)pent-3-en-2-one?
The canonical SMILES for (E)-3-(morpholin-4-ylmethyl)pent-3-en-2-one is C/C=C(\CN1CCOCC1)C(C)=O.
What is the InChIKey of (E)-3-(morpholin-4-ylmethyl)pent-3-en-2-one?
The InChIKey is BWCPQFSWGHCAEL-XCVCLJGOSA-N. The full InChI is InChI=1S/C10H17NO2/c1-3-10(9(2)12)8-11-4-6-13-7-5-11/h3H,4-8H2,1-2H3/b10-3+.
What are the key properties of (E)-3-(morpholin-4-ylmethyl)pent-3-en-2-one?
(E)-3-(morpholin-4-ylmethyl)pent-3-en-2-one has a molecular weight of 183.25 g/mol, XLogP of 0.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(morpholin-4-ylmethyl)pent-3-en-2-one is sourced from PubChem (CID 177013641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).