(Z)-3-diazoundec-5-en-2-one

C11H18N2O — CID 100939994

IUPAC(Z)-3-diazoundec-5-en-2-one
SMILESCCCCC/C=C\CC(=[N+]=[N-])C(C)=O
InChIInChI=1S/C11H18N2O/c1-3-4-5-6-7-8-9-11(13-12)10(2)14/h7-8H,3-6,9H2,1-2H3/b8-7-
InChIKeyZMGRJRJRKKFGLP-FPLPWBNLSA-N
MW194.28 g/mol
LogP2.77
Rot. Bonds7

About (Z)-3-diazoundec-5-en-2-one

(Z)-3-diazoundec-5-en-2-one (PubChem CID 100939994) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is (Z)-3-diazoundec-5-en-2-one.

Molecular Properties

Compound Name(Z)-3-diazoundec-5-en-2-one
PubChem CID100939994
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name(Z)-3-diazoundec-5-en-2-one
SMILESCCCCC/C=C\CC(=[N+]=[N-])C(C)=O
InChIInChI=1S/C11H18N2O/c1-3-4-5-6-7-8-9-11(13-12)10(2)14/h7-8H,3-6,9H2,1-2H3/b8-7-
InChIKeyZMGRJRJRKKFGLP-FPLPWBNLSA-N
XLogP2.77
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-diazoundec-5-en-2-one?
The IUPAC name of (Z)-3-diazoundec-5-en-2-one (CID 100939994) is (Z)-3-diazoundec-5-en-2-one.
What is the SMILES notation for (Z)-3-diazoundec-5-en-2-one?
The canonical SMILES for (Z)-3-diazoundec-5-en-2-one is CCCCC/C=C\CC(=[N+]=[N-])C(C)=O.
What is the InChIKey of (Z)-3-diazoundec-5-en-2-one?
The InChIKey is ZMGRJRJRKKFGLP-FPLPWBNLSA-N. The full InChI is InChI=1S/C11H18N2O/c1-3-4-5-6-7-8-9-11(13-12)10(2)14/h7-8H,3-6,9H2,1-2H3/b8-7-.
What are the key properties of (Z)-3-diazoundec-5-en-2-one?
(Z)-3-diazoundec-5-en-2-one has a molecular weight of 194.28 g/mol, XLogP of 2.77, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-diazoundec-5-en-2-one is sourced from PubChem (CID 100939994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).