(4E)-2-methyl-6-morpholin-4-ylhexa-1,4-dien-3-one

C11H17NO2 — CID 142407007

IUPAC(4E)-2-methyl-6-morpholin-4-ylhexa-1,4-dien-3-one
SMILESC=C(C)C(=O)/C=C/CN1CCOCC1
InChIInChI=1S/C11H17NO2/c1-10(2)11(13)4-3-5-12-6-8-14-9-7-12/h3-4H,1,5-9H2,2H3/b4-3+
InChIKeyKRCDZFZPCKIPIJ-ONEGZZNKSA-N
MW195.26 g/mol
LogP1.02
Rot. Bonds4

About (4E)-2-methyl-6-morpholin-4-ylhexa-1,4-dien-3-one

(4E)-2-methyl-6-morpholin-4-ylhexa-1,4-dien-3-one (PubChem CID 142407007) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is (4E)-2-methyl-6-morpholin-4-ylhexa-1,4-dien-3-one.

Molecular Properties

Compound Name(4E)-2-methyl-6-morpholin-4-ylhexa-1,4-dien-3-one
PubChem CID142407007
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name(4E)-2-methyl-6-morpholin-4-ylhexa-1,4-dien-3-one
SMILESC=C(C)C(=O)/C=C/CN1CCOCC1
InChIInChI=1S/C11H17NO2/c1-10(2)11(13)4-3-5-12-6-8-14-9-7-12/h3-4H,1,5-9H2,2H3/b4-3+
InChIKeyKRCDZFZPCKIPIJ-ONEGZZNKSA-N
XLogP1.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.02
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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Frequently Asked Questions

What is the IUPAC name of (4E)-2-methyl-6-morpholin-4-ylhexa-1,4-dien-3-one?
The IUPAC name of (4E)-2-methyl-6-morpholin-4-ylhexa-1,4-dien-3-one (CID 142407007) is (4E)-2-methyl-6-morpholin-4-ylhexa-1,4-dien-3-one.
What is the SMILES notation for (4E)-2-methyl-6-morpholin-4-ylhexa-1,4-dien-3-one?
The canonical SMILES for (4E)-2-methyl-6-morpholin-4-ylhexa-1,4-dien-3-one is C=C(C)C(=O)/C=C/CN1CCOCC1.
What is the InChIKey of (4E)-2-methyl-6-morpholin-4-ylhexa-1,4-dien-3-one?
The InChIKey is KRCDZFZPCKIPIJ-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H17NO2/c1-10(2)11(13)4-3-5-12-6-8-14-9-7-12/h3-4H,1,5-9H2,2H3/b4-3+.
What are the key properties of (4E)-2-methyl-6-morpholin-4-ylhexa-1,4-dien-3-one?
(4E)-2-methyl-6-morpholin-4-ylhexa-1,4-dien-3-one has a molecular weight of 195.26 g/mol, XLogP of 1.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-methyl-6-morpholin-4-ylhexa-1,4-dien-3-one is sourced from PubChem (CID 142407007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).