(Z)-4-(ethylamino)-3-methylbut-3-en-2-one

C7H13NO — CID 45085246

IUPAC(Z)-4-(ethylamino)-3-methylbut-3-en-2-one
SMILESCCN/C=C(/C)C(C)=O
InChIInChI=1S/C7H13NO/c1-4-8-5-6(2)7(3)9/h5,8H,4H2,1-3H3/b6-5-
InChIKeyGALLCKKSUSUZEF-WAYWQWQTSA-N
MW127.19 g/mol
LogP1.09
Rot. Bonds3

About (Z)-4-(ethylamino)-3-methylbut-3-en-2-one

(Z)-4-(ethylamino)-3-methylbut-3-en-2-one (PubChem CID 45085246) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (Z)-4-(ethylamino)-3-methylbut-3-en-2-one.

Molecular Properties

Compound Name(Z)-4-(ethylamino)-3-methylbut-3-en-2-one
PubChem CID45085246
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(Z)-4-(ethylamino)-3-methylbut-3-en-2-one
SMILESCCN/C=C(/C)C(C)=O
InChIInChI=1S/C7H13NO/c1-4-8-5-6(2)7(3)9/h5,8H,4H2,1-3H3/b6-5-
InChIKeyGALLCKKSUSUZEF-WAYWQWQTSA-N
XLogP1.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (Z)-4-(ethylamino)-3-methylbut-3-en-2-one?
The IUPAC name of (Z)-4-(ethylamino)-3-methylbut-3-en-2-one (CID 45085246) is (Z)-4-(ethylamino)-3-methylbut-3-en-2-one.
What is the SMILES notation for (Z)-4-(ethylamino)-3-methylbut-3-en-2-one?
The canonical SMILES for (Z)-4-(ethylamino)-3-methylbut-3-en-2-one is CCN/C=C(/C)C(C)=O.
What is the InChIKey of (Z)-4-(ethylamino)-3-methylbut-3-en-2-one?
The InChIKey is GALLCKKSUSUZEF-WAYWQWQTSA-N. The full InChI is InChI=1S/C7H13NO/c1-4-8-5-6(2)7(3)9/h5,8H,4H2,1-3H3/b6-5-.
What are the key properties of (Z)-4-(ethylamino)-3-methylbut-3-en-2-one?
(Z)-4-(ethylamino)-3-methylbut-3-en-2-one has a molecular weight of 127.19 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(ethylamino)-3-methylbut-3-en-2-one is sourced from PubChem (CID 45085246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).