(Z,3Z)-3-ethylidene-4-methyl-5-(methylamino)hex-4-en-2-one

C10H17NO — CID 143036535

IUPAC(Z,3Z)-3-ethylidene-4-methyl-5-(methylamino)hex-4-en-2-one
SMILESC/C=C(C(C)=O)/C(C)=C(/C)NC
InChIInChI=1S/C10H17NO/c1-6-10(9(4)12)7(2)8(3)11-5/h6,11H,1-5H3/b8-7-,10-6-
InChIKeyMWZGBPLZMNVKEN-OYIUBJQVSA-N
MW167.25 g/mol
LogP2.04
Rot. Bonds3

About (Z,3Z)-3-ethylidene-4-methyl-5-(methylamino)hex-4-en-2-one

(Z,3Z)-3-ethylidene-4-methyl-5-(methylamino)hex-4-en-2-one (PubChem CID 143036535) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (Z,3Z)-3-ethylidene-4-methyl-5-(methylamino)hex-4-en-2-one.

Molecular Properties

Compound Name(Z,3Z)-3-ethylidene-4-methyl-5-(methylamino)hex-4-en-2-one
PubChem CID143036535
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(Z,3Z)-3-ethylidene-4-methyl-5-(methylamino)hex-4-en-2-one
SMILESC/C=C(C(C)=O)/C(C)=C(/C)NC
InChIInChI=1S/C10H17NO/c1-6-10(9(4)12)7(2)8(3)11-5/h6,11H,1-5H3/b8-7-,10-6-
InChIKeyMWZGBPLZMNVKEN-OYIUBJQVSA-N
XLogP2.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z,3Z)-3-ethylidene-4-methyl-5-(methylamino)hex-4-en-2-one?
The IUPAC name of (Z,3Z)-3-ethylidene-4-methyl-5-(methylamino)hex-4-en-2-one (CID 143036535) is (Z,3Z)-3-ethylidene-4-methyl-5-(methylamino)hex-4-en-2-one.
What is the SMILES notation for (Z,3Z)-3-ethylidene-4-methyl-5-(methylamino)hex-4-en-2-one?
The canonical SMILES for (Z,3Z)-3-ethylidene-4-methyl-5-(methylamino)hex-4-en-2-one is C/C=C(C(C)=O)/C(C)=C(/C)NC.
What is the InChIKey of (Z,3Z)-3-ethylidene-4-methyl-5-(methylamino)hex-4-en-2-one?
The InChIKey is MWZGBPLZMNVKEN-OYIUBJQVSA-N. The full InChI is InChI=1S/C10H17NO/c1-6-10(9(4)12)7(2)8(3)11-5/h6,11H,1-5H3/b8-7-,10-6-.
What are the key properties of (Z,3Z)-3-ethylidene-4-methyl-5-(methylamino)hex-4-en-2-one?
(Z,3Z)-3-ethylidene-4-methyl-5-(methylamino)hex-4-en-2-one has a molecular weight of 167.25 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3Z)-3-ethylidene-4-methyl-5-(methylamino)hex-4-en-2-one is sourced from PubChem (CID 143036535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).