(4Z,6Z,8Z)-2-diazo-1H-cyclopenta[8]annulen-3-one

C11H8N2O — CID 134924844

IUPAC(4Z,6Z,8Z)-2-diazo-1H-cyclopenta[8]annulen-3-one
SMILES[N-]=[N+]=C1CC2=C(/C=C\C=C/C=C\2)C1=O
InChIInChI=1S/C11H8N2O/c12-13-10-7-8-5-3-1-2-4-6-9(8)11(10)14/h1-6H,7H2/b2-1-,3-1-,4-2-,5-3-,6-4-,8-5-,9-6+
InChIKeyCRVXJSGXNIZBNX-AOAZNCMSSA-N
MW184.20 g/mol
LogP1.61
Rot. Bonds

About (4Z,6Z,8Z)-2-diazo-1H-cyclopenta[8]annulen-3-one

(4Z,6Z,8Z)-2-diazo-1H-cyclopenta[8]annulen-3-one (PubChem CID 134924844) has the molecular formula C11H8N2O and a molecular weight of 184.20 g/mol. Its IUPAC name is (4Z,6Z,8Z)-2-diazo-1H-cyclopenta[8]annulen-3-one.

Molecular Properties

Compound Name(4Z,6Z,8Z)-2-diazo-1H-cyclopenta[8]annulen-3-one
PubChem CID134924844
Molecular FormulaC11H8N2O
Molecular Weight184.20 g/mol
Exact Mass184.06
IUPAC Name(4Z,6Z,8Z)-2-diazo-1H-cyclopenta[8]annulen-3-one
SMILES[N-]=[N+]=C1CC2=C(/C=C\C=C/C=C\2)C1=O
InChIInChI=1S/C11H8N2O/c12-13-10-7-8-5-3-1-2-4-6-9(8)11(10)14/h1-6H,7H2/b2-1-,3-1-,4-2-,5-3-,6-4-,8-5-,9-6+
InChIKeyCRVXJSGXNIZBNX-AOAZNCMSSA-N
XLogP1.61
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 51.61
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': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(2Z,4Z,6Z,8Z)-2-hydroxyimino-1H-cyclopenta[8]annulen-3-one
CID 134877412
[[4-[3-[2-[3-(4-Diazonioiminocyclohexa-2,5-dien-1-ylidene)prop-1-enyl]-5-oxocyclopenten-1-yl]prop-2-enylidene]cyclohexa-2,5-dien-1-ylidene]hydrazinylidene]azanide
CID 57298400
8-Diazo-7,10-dihydroanthracen-1-one
CID 87554697
2-Diazo-3,5-dihydronaphthalen-1-one
CID 90713439
2-Diazo-3,5-dihydronaphthalen-1-one;propane
CID 91473845
m-Diazoacetophenone
CID 137208588
1-(5-Diazocyclohexa-1,3-dien-1-yl)ethanone;hydrochloride
CID 141175494
1-(5-Diazocyclohexa-1,3-dien-1-yl)ethanone;hydrobromide
CID 141357153
2-Diazo-4,9-dihydrobenzo[7]annulene-1,3-dione
CID 101593973
(7E,9E)-2-diazoundeca-7,9-dien-3-one
CID 137128758
2-Diazoundeca-7,9-dien-3-one
CID 137218728

Frequently Asked Questions

What is the IUPAC name of (4Z,6Z,8Z)-2-diazo-1H-cyclopenta[8]annulen-3-one?
The IUPAC name of (4Z,6Z,8Z)-2-diazo-1H-cyclopenta[8]annulen-3-one (CID 134924844) is (4Z,6Z,8Z)-2-diazo-1H-cyclopenta[8]annulen-3-one.
What is the SMILES notation for (4Z,6Z,8Z)-2-diazo-1H-cyclopenta[8]annulen-3-one?
The canonical SMILES for (4Z,6Z,8Z)-2-diazo-1H-cyclopenta[8]annulen-3-one is [N-]=[N+]=C1CC2=C(/C=C\C=C/C=C\2)C1=O.
What is the InChIKey of (4Z,6Z,8Z)-2-diazo-1H-cyclopenta[8]annulen-3-one?
The InChIKey is CRVXJSGXNIZBNX-AOAZNCMSSA-N. The full InChI is InChI=1S/C11H8N2O/c12-13-10-7-8-5-3-1-2-4-6-9(8)11(10)14/h1-6H,7H2/b2-1-,3-1-,4-2-,5-3-,6-4-,8-5-,9-6+.
What are the key properties of (4Z,6Z,8Z)-2-diazo-1H-cyclopenta[8]annulen-3-one?
(4Z,6Z,8Z)-2-diazo-1H-cyclopenta[8]annulen-3-one has a molecular weight of 184.20 g/mol, XLogP of 1.61, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6Z,8Z)-2-diazo-1H-cyclopenta[8]annulen-3-one is sourced from PubChem (CID 134924844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).