2-diazo-3,5-dihydronaphthalen-1-one;propane

C13H16N2O — CID 91473845

IUPAC2-diazo-3,5-dihydronaphthalen-1-one;propane
SMILESCCC.[N-]=[N+]=C1CC=C2CC=CC=C2C1=O
InChIInChI=1S/C10H8N2O.C3H8/c11-12-9-6-5-7-3-1-2-4-8(7)10(9)13;1-3-2/h1-2,4-5H,3,6H2;3H2,1-2H3
InChIKeyKUMQWHZDPAEIBP-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.86
Rot. Bonds

About 2-diazo-3,5-dihydronaphthalen-1-one;propane

2-diazo-3,5-dihydronaphthalen-1-one;propane (PubChem CID 91473845) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-diazo-3,5-dihydronaphthalen-1-one;propane.

Molecular Properties

Compound Name2-diazo-3,5-dihydronaphthalen-1-one;propane
PubChem CID91473845
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name2-diazo-3,5-dihydronaphthalen-1-one;propane
SMILESCCC.[N-]=[N+]=C1CC=C2CC=CC=C2C1=O
InChIInChI=1S/C10H8N2O.C3H8/c11-12-9-6-5-7-3-1-2-4-8(7)10(9)13;1-3-2/h1-2,4-5H,3,6H2;3H2,1-2H3
InChIKeyKUMQWHZDPAEIBP-UHFFFAOYSA-N
XLogP2.86
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.86
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

6-Diazo-2-methyl-2-cyclohexen-1-one
CID 11535568
(4Z,6Z,8Z)-2-diazo-1H-cyclopenta[8]annulen-3-one
CID 134924844
5-diazo-6H-naphthalene-1,4-dione
CID 23202654
[[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
[[4-[[2-[(4-Diazonioiminocyclohexa-2,5-dien-1-ylidene)methyl]-6-oxocyclohexen-1-yl]methylidene]cyclohexa-2,5-dien-1-ylidene]hydrazinylidene]azanide
CID 57316600
8-Diazo-7,10-dihydroanthracen-1-one
CID 87554697
2-Diazo-3,5-dihydronaphthalen-1-one
CID 90713439
4-(2,6-Diiminoheptan-4-ylidene)cyclohex-2-en-1-one
CID 123982835
m-Diazoacetophenone
CID 137208588
5-diazo-3H-naphthalene-1,2-dione
CID 141053386
1-(5-Diazocyclohexa-1,3-dien-1-yl)ethanone;hydrochloride
CID 141175494
1-(5-Diazocyclohexa-1,3-dien-1-yl)ethanone;hydrobromide
CID 141357153

Frequently Asked Questions

What is the IUPAC name of 2-diazo-3,5-dihydronaphthalen-1-one;propane?
The IUPAC name of 2-diazo-3,5-dihydronaphthalen-1-one;propane (CID 91473845) is 2-diazo-3,5-dihydronaphthalen-1-one;propane.
What is the SMILES notation for 2-diazo-3,5-dihydronaphthalen-1-one;propane?
The canonical SMILES for 2-diazo-3,5-dihydronaphthalen-1-one;propane is CCC.[N-]=[N+]=C1CC=C2CC=CC=C2C1=O.
What is the InChIKey of 2-diazo-3,5-dihydronaphthalen-1-one;propane?
The InChIKey is KUMQWHZDPAEIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O.C3H8/c11-12-9-6-5-7-3-1-2-4-8(7)10(9)13;1-3-2/h1-2,4-5H,3,6H2;3H2,1-2H3.
What are the key properties of 2-diazo-3,5-dihydronaphthalen-1-one;propane?
2-diazo-3,5-dihydronaphthalen-1-one;propane has a molecular weight of 216.28 g/mol, XLogP of 2.86, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diazo-3,5-dihydronaphthalen-1-one;propane is sourced from PubChem (CID 91473845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).