azane;chromen-4-one

C9H9NO2 — CID 175189895

IUPACazane;chromen-4-one
SMILESN.O=c1ccoc2ccccc12
InChIInChI=1S/C9H6O2.H3N/c10-8-5-6-11-9-4-2-1-3-7(8)9;/h1-6H;1H3
InChIKeyKHXQRJPZYKIAAS-UHFFFAOYSA-N
MW163.18 g/mol
LogP1.96
Rot. Bonds

About azane;chromen-4-one

azane;chromen-4-one (PubChem CID 175189895) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is azane;chromen-4-one.

Molecular Properties

Compound Nameazane;chromen-4-one
PubChem CID175189895
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Nameazane;chromen-4-one
SMILESN.O=c1ccoc2ccccc12
InChIInChI=1S/C9H6O2.H3N/c10-8-5-6-11-9-4-2-1-3-7(8)9;/h1-6H;1H3
InChIKeyKHXQRJPZYKIAAS-UHFFFAOYSA-N
XLogP1.96
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

chromen-4-one;ethane
CID 91315086
chromen-4-one;fluorobenzene
CID 174960592
bromobenzene;chromen-4-one
CID 174809663
chromen-4-one;oxadiazole
CID 175168262
chromen-4-one;1,3-thiazole
CID 175363331
bis(2-methylpropyl) hydrogen phosphate;chromen-4-one
CID 175821411
7-phenylchromen-4-one
CID 57034493
acetonitrile;chromeno[3,2-b]pyridin-10-one;chromen-4-one
CID 158135301
chloroform;chromen-4-one;3-hydroxychromeno[3,2-b]pyridin-10-one
CID 158624582
7-bromochromen-4-one
CID 18686752
6-methylchromen-4-one
CID 594810
4-oxochromene-6-carboxylate
CID 86688023

Frequently Asked Questions

What is the IUPAC name of azane;chromen-4-one?
The IUPAC name of azane;chromen-4-one (CID 175189895) is azane;chromen-4-one.
What is the SMILES notation for azane;chromen-4-one?
The canonical SMILES for azane;chromen-4-one is N.O=c1ccoc2ccccc12.
What is the InChIKey of azane;chromen-4-one?
The InChIKey is KHXQRJPZYKIAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6O2.H3N/c10-8-5-6-11-9-4-2-1-3-7(8)9;/h1-6H;1H3.
What are the key properties of azane;chromen-4-one?
azane;chromen-4-one has a molecular weight of 163.18 g/mol, XLogP of 1.96, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;chromen-4-one is sourced from PubChem (CID 175189895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).