(Z)-6-(dimethylamino)hex-3-en-5-yn-2-one

C8H11NO — CID 14786264

IUPAC(Z)-6-(dimethylamino)hex-3-en-5-yn-2-one
SMILESCC(=O)/C=C\C#CN(C)C
InChIInChI=1S/C8H11NO/c1-8(10)6-4-5-7-9(2)3/h4,6H,1-3H3/b6-4-
InChIKeySKJMQOURKHAEIG-XQRVVYSFSA-N
MW137.18 g/mol
LogP0.65
Rot. Bonds1

About (Z)-6-(dimethylamino)hex-3-en-5-yn-2-one

(Z)-6-(dimethylamino)hex-3-en-5-yn-2-one (PubChem CID 14786264) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is (Z)-6-(dimethylamino)hex-3-en-5-yn-2-one.

Molecular Properties

Compound Name(Z)-6-(dimethylamino)hex-3-en-5-yn-2-one
PubChem CID14786264
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name(Z)-6-(dimethylamino)hex-3-en-5-yn-2-one
SMILESCC(=O)/C=C\C#CN(C)C
InChIInChI=1S/C8H11NO/c1-8(10)6-4-5-7-9(2)3/h4,6H,1-3H3/b6-4-
InChIKeySKJMQOURKHAEIG-XQRVVYSFSA-N
XLogP0.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-6-(dimethylamino)hex-3-en-5-yn-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (2E,6E)-8-oxonona-2,6-dien-4-ynoate
CID 12535674
(E)-hex-3-ene-2,5-dione
CID 5363639
(3E,5Z,7E)-deca-3,5,7-triene-2,9-dione
CID 10749538
(E)-4-[hydroxymethyl(methyl)amino]but-3-en-2-one
CID 131241359
N-methyl-N-[(E)-3-oxobut-1-enyl]acetamide
CID 131236733
pent-3-en-2-one
CID 12248
6-oxohepta-2,4-dienal
CID 54295604
(E,5S)-5-hydroxyhex-3-en-2-one
CID 10678210
(Z,5R)-5-hydroxyhex-3-en-2-one
CID 59975420
CID 59544138
CID 59544138
(Z)-4-oxopent-2-enoic acid;(E)-4-oxopent-2-enoic acid
CID 158960981
(E)-5-[2-fluoroethyl(methyl)amino]pent-3-en-2-one
CID 142388492

Frequently Asked Questions

What is the IUPAC name of (Z)-6-(dimethylamino)hex-3-en-5-yn-2-one?
The IUPAC name of (Z)-6-(dimethylamino)hex-3-en-5-yn-2-one (CID 14786264) is (Z)-6-(dimethylamino)hex-3-en-5-yn-2-one.
What is the SMILES notation for (Z)-6-(dimethylamino)hex-3-en-5-yn-2-one?
The canonical SMILES for (Z)-6-(dimethylamino)hex-3-en-5-yn-2-one is CC(=O)/C=C\C#CN(C)C.
What is the InChIKey of (Z)-6-(dimethylamino)hex-3-en-5-yn-2-one?
The InChIKey is SKJMQOURKHAEIG-XQRVVYSFSA-N. The full InChI is InChI=1S/C8H11NO/c1-8(10)6-4-5-7-9(2)3/h4,6H,1-3H3/b6-4-.
What are the key properties of (Z)-6-(dimethylamino)hex-3-en-5-yn-2-one?
(Z)-6-(dimethylamino)hex-3-en-5-yn-2-one has a molecular weight of 137.18 g/mol, XLogP of 0.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-(dimethylamino)hex-3-en-5-yn-2-one is sourced from PubChem (CID 14786264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).