1-diazenylheptan-2-one

C7H14N2O — CID 56977189

IUPAC1-diazenylheptan-2-one
SMILES[H]/N=N/CC(=O)CCCCC
InChIInChI=1S/C7H14N2O/c1-2-3-4-5-7(10)6-9-8/h8H,2-6H2,1H3/b9-8+
InChIKeyRSGIFZBTGYOEMQ-CMDGGOBGSA-N
MW142.20 g/mol
LogP2.17
Rot. Bonds6

About 1-diazenylheptan-2-one

1-diazenylheptan-2-one (PubChem CID 56977189) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 1-diazenylheptan-2-one.

Molecular Properties

Compound Name1-diazenylheptan-2-one
PubChem CID56977189
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name1-diazenylheptan-2-one
SMILES[H]/N=N/CC(=O)CCCCC
InChIInChI=1S/C7H14N2O/c1-2-3-4-5-7(10)6-9-8/h8H,2-6H2,1H3/b9-8+
InChIKeyRSGIFZBTGYOEMQ-CMDGGOBGSA-N
XLogP2.17
TPSA53.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

pentacosane-7,19-dione
CID 139254510
nonadecan-7-one
CID 12913434
nonatriacontane-8,29-dione
CID 150237018
pentadecan-8-one
CID 13162
tricosan-12-one
CID 10888
octacosan-8-one
CID 86052342
pentacosan-7-one
CID 54551687
dodecan-5-one
CID 29771
ethene;tridecan-7-one
CID 159715360
octadecan-4-one
CID 551672
heptacosane-10,12-dione
CID 14235516
icosane-4,15-dione
CID 123287171

Frequently Asked Questions

What is the IUPAC name of 1-diazenylheptan-2-one?
The IUPAC name of 1-diazenylheptan-2-one (CID 56977189) is 1-diazenylheptan-2-one.
What is the SMILES notation for 1-diazenylheptan-2-one?
The canonical SMILES for 1-diazenylheptan-2-one is [H]/N=N/CC(=O)CCCCC.
What is the InChIKey of 1-diazenylheptan-2-one?
The InChIKey is RSGIFZBTGYOEMQ-CMDGGOBGSA-N. The full InChI is InChI=1S/C7H14N2O/c1-2-3-4-5-7(10)6-9-8/h8H,2-6H2,1H3/b9-8+.
What are the key properties of 1-diazenylheptan-2-one?
1-diazenylheptan-2-one has a molecular weight of 142.20 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diazenylheptan-2-one is sourced from PubChem (CID 56977189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).