(Z)-3-(methyldiazenyl)pent-3-en-2-one

C6H10N2O — CID 144679561

IUPAC(Z)-3-(methyldiazenyl)pent-3-en-2-one
SMILESC/C=C(\N=N\C)C(C)=O
InChIInChI=1S/C6H10N2O/c1-4-6(5(2)9)8-7-3/h4H,1-3H3/b6-4-,8-7+
InChIKeyHGTMANWUYRXQIK-IQTBQJLQSA-N
MW126.16 g/mol
LogP1.56
Rot. Bonds2

About (Z)-3-(methyldiazenyl)pent-3-en-2-one

(Z)-3-(methyldiazenyl)pent-3-en-2-one (PubChem CID 144679561) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is (Z)-3-(methyldiazenyl)pent-3-en-2-one.

Molecular Properties

Compound Name(Z)-3-(methyldiazenyl)pent-3-en-2-one
PubChem CID144679561
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name(Z)-3-(methyldiazenyl)pent-3-en-2-one
SMILESC/C=C(\N=N\C)C(C)=O
InChIInChI=1S/C6H10N2O/c1-4-6(5(2)9)8-7-3/h4H,1-3H3/b6-4-,8-7+
InChIKeyHGTMANWUYRXQIK-IQTBQJLQSA-N
XLogP1.56
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-1,3-difluorobenzene;methanamine;(Z)-3-(methyldiazenyl)pent-3-en-2-one;toluene
CID 144679560
(Z,3E)-3-(1-chloroethylidene)-N-methyl-4-(methyldiazenyl)hex-4-en-2-imine
CID 163386940
(3Z)-hepta-3,5-dien-2-one
CID 123850748
(3Z,5E)-hepta-3,5-dien-2-one
CID 12524557
(3Z,5Z)-3-diazenylhepta-3,5-dien-2-one
CID 122436508
(E)-3-(methyldiazenyl)but-2-enal
CID 88939823
(Z)-3-(1-cyclobutylethylideneamino)pent-3-en-2-one;ethane
CID 155697921
N-[(Z)-4-oxopent-2-en-3-yl]pentanimidoyl chloride
CID 123627963
(E)-3-methylpent-3-en-2-one;(Z)-3-methylpent-3-en-2-one
CID 101043004
(Z)-4-amino-3-(propan-2-ylideneamino)but-3-en-2-one
CID 130349119
methane;N-methylmethanimine;propan-2-one;prop-1-ene
CID 159454527
(3E,5Z,7E)-deca-3,5,7-triene-2,9-dione
CID 10749538

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(methyldiazenyl)pent-3-en-2-one?
The IUPAC name of (Z)-3-(methyldiazenyl)pent-3-en-2-one (CID 144679561) is (Z)-3-(methyldiazenyl)pent-3-en-2-one.
What is the SMILES notation for (Z)-3-(methyldiazenyl)pent-3-en-2-one?
The canonical SMILES for (Z)-3-(methyldiazenyl)pent-3-en-2-one is C/C=C(\N=N\C)C(C)=O.
What is the InChIKey of (Z)-3-(methyldiazenyl)pent-3-en-2-one?
The InChIKey is HGTMANWUYRXQIK-IQTBQJLQSA-N. The full InChI is InChI=1S/C6H10N2O/c1-4-6(5(2)9)8-7-3/h4H,1-3H3/b6-4-,8-7+.
What are the key properties of (Z)-3-(methyldiazenyl)pent-3-en-2-one?
(Z)-3-(methyldiazenyl)pent-3-en-2-one has a molecular weight of 126.16 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(methyldiazenyl)pent-3-en-2-one is sourced from PubChem (CID 144679561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).