azane;phenalen-1-one

C13H11NO — CID 175328338

IUPACazane;phenalen-1-one
SMILESN.O=C1C=Cc2cccc3cccc1c23
InChIInChI=1S/C13H8O.H3N/c14-12-8-7-10-4-1-3-9-5-2-6-11(12)13(9)10;/h1-8H;1H3
InChIKeyUTMCCKOGIZRPTB-UHFFFAOYSA-N
MW197.24 g/mol
LogP3.21
Rot. Bonds

About azane;phenalen-1-one

azane;phenalen-1-one (PubChem CID 175328338) has the molecular formula C13H11NO and a molecular weight of 197.24 g/mol. Its IUPAC name is azane;phenalen-1-one.

Molecular Properties

Compound Nameazane;phenalen-1-one
PubChem CID175328338
Molecular FormulaC13H11NO
Molecular Weight197.24 g/mol
Exact Mass197.08
IUPAC Nameazane;phenalen-1-one
SMILESN.O=C1C=Cc2cccc3cccc1c23
InChIInChI=1S/C13H8O.H3N/c14-12-8-7-10-4-1-3-9-5-2-6-11(12)13(9)10;/h1-8H;1H3
InChIKeyUTMCCKOGIZRPTB-UHFFFAOYSA-N
XLogP3.21
TPSA52.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

phenalen-1-one;phosphoric acid
CID 70389787
2-methylprop-2-enoic acid;phenalen-1-one
CID 138521176
acenaphthylene;benzene
CID 161131509
CID 101224795
CID 101224795
acenaphthylene;ethane
CID 54237459
7-(4-methoxyphenyl)phenalen-1-one
CID 166453595
acenaphthylene;dibromonickel
CID 161160436
2-aminophenalen-1-one
CID 13013288
2-methylphenalen-1-one
CID 15695099
9-azidophenalen-1-one
CID 21143079
2-[(Z)-phenalen-1-ylideneamino]guanidine;hydrochloride
CID 45480716
hydron;naphthalene-1,4-dione
CID 174880921

Frequently Asked Questions

What is the IUPAC name of azane;phenalen-1-one?
The IUPAC name of azane;phenalen-1-one (CID 175328338) is azane;phenalen-1-one.
What is the SMILES notation for azane;phenalen-1-one?
The canonical SMILES for azane;phenalen-1-one is N.O=C1C=Cc2cccc3cccc1c23.
What is the InChIKey of azane;phenalen-1-one?
The InChIKey is UTMCCKOGIZRPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8O.H3N/c14-12-8-7-10-4-1-3-9-5-2-6-11(12)13(9)10;/h1-8H;1H3.
What are the key properties of azane;phenalen-1-one?
azane;phenalen-1-one has a molecular weight of 197.24 g/mol, XLogP of 3.21, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;phenalen-1-one is sourced from PubChem (CID 175328338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).