(Z)-5-(ethylamino)-2,6-dimethylhept-4-en-3-one

C11H21NO — CID 122530495

IUPAC(Z)-5-(ethylamino)-2,6-dimethylhept-4-en-3-one
SMILESCCN/C(=C\C(=O)C(C)C)C(C)C
InChIInChI=1S/C11H21NO/c1-6-12-10(8(2)3)7-11(13)9(4)5/h7-9,12H,6H2,1-5H3/b10-7-
InChIKeyYSTCYRQXQQTBET-YFHOEESVSA-N
MW183.29 g/mol
LogP2.36
Rot. Bonds5

About (Z)-5-(ethylamino)-2,6-dimethylhept-4-en-3-one

(Z)-5-(ethylamino)-2,6-dimethylhept-4-en-3-one (PubChem CID 122530495) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (Z)-5-(ethylamino)-2,6-dimethylhept-4-en-3-one.

Molecular Properties

Compound Name(Z)-5-(ethylamino)-2,6-dimethylhept-4-en-3-one
PubChem CID122530495
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(Z)-5-(ethylamino)-2,6-dimethylhept-4-en-3-one
SMILESCCN/C(=C\C(=O)C(C)C)C(C)C
InChIInChI=1S/C11H21NO/c1-6-12-10(8(2)3)7-11(13)9(4)5/h7-9,12H,6H2,1-5H3/b10-7-
InChIKeyYSTCYRQXQQTBET-YFHOEESVSA-N
XLogP2.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.36
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)-5-(ethylamino)-2,6-dimethylhept-4-en-3-one?
The IUPAC name of (Z)-5-(ethylamino)-2,6-dimethylhept-4-en-3-one (CID 122530495) is (Z)-5-(ethylamino)-2,6-dimethylhept-4-en-3-one.
What is the SMILES notation for (Z)-5-(ethylamino)-2,6-dimethylhept-4-en-3-one?
The canonical SMILES for (Z)-5-(ethylamino)-2,6-dimethylhept-4-en-3-one is CCN/C(=C\C(=O)C(C)C)C(C)C.
What is the InChIKey of (Z)-5-(ethylamino)-2,6-dimethylhept-4-en-3-one?
The InChIKey is YSTCYRQXQQTBET-YFHOEESVSA-N. The full InChI is InChI=1S/C11H21NO/c1-6-12-10(8(2)3)7-11(13)9(4)5/h7-9,12H,6H2,1-5H3/b10-7-.
What are the key properties of (Z)-5-(ethylamino)-2,6-dimethylhept-4-en-3-one?
(Z)-5-(ethylamino)-2,6-dimethylhept-4-en-3-one has a molecular weight of 183.29 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-(ethylamino)-2,6-dimethylhept-4-en-3-one is sourced from PubChem (CID 122530495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).