isocyanic acid;1H-quinolin-2-one

C10H8N2O2 — CID 176531100

IUPACisocyanic acid;1H-quinolin-2-one
SMILESN=C=O.O=c1ccc2ccccc2[nH]1
InChIInChI=1S/C9H7NO.CHNO/c11-9-6-5-7-3-1-2-4-8(7)10-9;2-1-3/h1-6H,(H,10,11);2H
InChIKeyAYINPNQEJHVPNI-UHFFFAOYSA-N
MW188.19 g/mol
LogP1.43
Rot. Bonds

About isocyanic acid;1H-quinolin-2-one

isocyanic acid;1H-quinolin-2-one (PubChem CID 176531100) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is isocyanic acid;1H-quinolin-2-one.

Molecular Properties

Compound Nameisocyanic acid;1H-quinolin-2-one
PubChem CID176531100
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Nameisocyanic acid;1H-quinolin-2-one
SMILESN=C=O.O=c1ccc2ccccc2[nH]1
InChIInChI=1S/C9H7NO.CHNO/c11-9-6-5-7-3-1-2-4-8(7)10-9;2-1-3/h1-6H,(H,10,11);2H
InChIKeyAYINPNQEJHVPNI-UHFFFAOYSA-N
XLogP1.43
TPSA73.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

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Related Compounds

CID 172719311
CID 172719311
neodymium;1H-quinolin-2-one
CID 175424246
hydrazine;1H-quinolin-2-one
CID 157180038
bicyclo[4.1.0]hepta-1,3,5-triene;1H-quinolin-2-one
CID 67171100
molecular hydrogen;propane;1H-quinolin-2-one
CID 142067755
acetic acid;1H-quinolin-2-one
CID 71436806
2-[4-(dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]propanedinitrile;bis(1H-quinolin-2-one)
CID 139146174
2-aminoacetic acid;1H-quinolin-2-one
CID 159271091
1H-benzo[g]quinolin-2-one
CID 19597016
1-chloropentane;1H-quinolin-2-one
CID 174326674
isocyanic acid;phenanthrene
CID 172832976
2-ethyl-1H-azepine;1H-quinolin-2-one
CID 174887038

Frequently Asked Questions

What is the IUPAC name of isocyanic acid;1H-quinolin-2-one?
The IUPAC name of isocyanic acid;1H-quinolin-2-one (CID 176531100) is isocyanic acid;1H-quinolin-2-one.
What is the SMILES notation for isocyanic acid;1H-quinolin-2-one?
The canonical SMILES for isocyanic acid;1H-quinolin-2-one is N=C=O.O=c1ccc2ccccc2[nH]1.
What is the InChIKey of isocyanic acid;1H-quinolin-2-one?
The InChIKey is AYINPNQEJHVPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO.CHNO/c11-9-6-5-7-3-1-2-4-8(7)10-9;2-1-3/h1-6H,(H,10,11);2H.
What are the key properties of isocyanic acid;1H-quinolin-2-one?
isocyanic acid;1H-quinolin-2-one has a molecular weight of 188.19 g/mol, XLogP of 1.43, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for isocyanic acid;1H-quinolin-2-one is sourced from PubChem (CID 176531100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).