7-nitroso-3,4-dihydro-2H-chromen-5-ol

C9H9NO3 — CID 129090968

IUPAC7-nitroso-3,4-dihydro-2H-chromen-5-ol
SMILESO=Nc1cc(O)c2c(c1)OCCC2
InChIInChI=1S/C9H9NO3/c11-8-4-6(10-12)5-9-7(8)2-1-3-13-9/h4-5,11H,1-3H2
InChIKeyKYRBVXHRHXFBQE-UHFFFAOYSA-N
MW179.18 g/mol
LogP2.12
Rot. Bonds1

About 7-nitroso-3,4-dihydro-2H-chromen-5-ol

7-nitroso-3,4-dihydro-2H-chromen-5-ol (PubChem CID 129090968) has the molecular formula C9H9NO3 and a molecular weight of 179.18 g/mol. Its IUPAC name is 7-nitroso-3,4-dihydro-2H-chromen-5-ol.

Molecular Properties

Compound Name7-nitroso-3,4-dihydro-2H-chromen-5-ol
PubChem CID129090968
Molecular FormulaC9H9NO3
Molecular Weight179.18 g/mol
Exact Mass179.06
IUPAC Name7-nitroso-3,4-dihydro-2H-chromen-5-ol
SMILESO=Nc1cc(O)c2c(c1)OCCC2
InChIInChI=1S/C9H9NO3/c11-8-4-6(10-12)5-9-7(8)2-1-3-13-9/h4-5,11H,1-3H2
InChIKeyKYRBVXHRHXFBQE-UHFFFAOYSA-N
XLogP2.12
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-nitroso-3,4-dihydro-2H-chromen-5-ol?
The IUPAC name of 7-nitroso-3,4-dihydro-2H-chromen-5-ol (CID 129090968) is 7-nitroso-3,4-dihydro-2H-chromen-5-ol.
What is the SMILES notation for 7-nitroso-3,4-dihydro-2H-chromen-5-ol?
The canonical SMILES for 7-nitroso-3,4-dihydro-2H-chromen-5-ol is O=Nc1cc(O)c2c(c1)OCCC2.
What is the InChIKey of 7-nitroso-3,4-dihydro-2H-chromen-5-ol?
The InChIKey is KYRBVXHRHXFBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3/c11-8-4-6(10-12)5-9-7(8)2-1-3-13-9/h4-5,11H,1-3H2.
What are the key properties of 7-nitroso-3,4-dihydro-2H-chromen-5-ol?
7-nitroso-3,4-dihydro-2H-chromen-5-ol has a molecular weight of 179.18 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-nitroso-3,4-dihydro-2H-chromen-5-ol is sourced from PubChem (CID 129090968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).