molecular hydrogen;propane;1H-quinolin-2-one

C12H17NO — CID 142067755

IUPACmolecular hydrogen;propane;1H-quinolin-2-one
SMILESCCC.O=c1ccc2ccccc2[nH]1.[H][H]
InChIInChI=1S/C9H7NO.C3H8.H2/c11-9-6-5-7-3-1-2-4-8(7)10-9;1-3-2;/h1-6H,(H,10,11);3H2,1-2H3;1H
InChIKeyJRRIGOBCQOMZEF-UHFFFAOYSA-N
MW191.27 g/mol
LogP3.19
Rot. Bonds

About molecular hydrogen;propane;1H-quinolin-2-one

molecular hydrogen;propane;1H-quinolin-2-one (PubChem CID 142067755) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is molecular hydrogen;propane;1H-quinolin-2-one.

Molecular Properties

Compound Namemolecular hydrogen;propane;1H-quinolin-2-one
PubChem CID142067755
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Namemolecular hydrogen;propane;1H-quinolin-2-one
SMILESCCC.O=c1ccc2ccccc2[nH]1.[H][H]
InChIInChI=1S/C9H7NO.C3H8.H2/c11-9-6-5-7-3-1-2-4-8(7)10-9;1-3-2;/h1-6H,(H,10,11);3H2,1-2H3;1H
InChIKeyJRRIGOBCQOMZEF-UHFFFAOYSA-N
XLogP3.19
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 67171100
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2-aminoacetic acid;1H-quinolin-2-one
CID 159271091
2-ethyl-1H-azepine;1H-quinolin-2-one
CID 174887038
1H-benzo[g]quinolin-2-one
CID 19597016
2-[4-(dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]propanedinitrile;bis(1H-quinolin-2-one)
CID 139146174
ethyl 2-oxo-1H-quinoline-7-carboxylate
CID 15091487

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;propane;1H-quinolin-2-one?
The IUPAC name of molecular hydrogen;propane;1H-quinolin-2-one (CID 142067755) is molecular hydrogen;propane;1H-quinolin-2-one.
What is the SMILES notation for molecular hydrogen;propane;1H-quinolin-2-one?
The canonical SMILES for molecular hydrogen;propane;1H-quinolin-2-one is CCC.O=c1ccc2ccccc2[nH]1.[H][H].
What is the InChIKey of molecular hydrogen;propane;1H-quinolin-2-one?
The InChIKey is JRRIGOBCQOMZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO.C3H8.H2/c11-9-6-5-7-3-1-2-4-8(7)10-9;1-3-2;/h1-6H,(H,10,11);3H2,1-2H3;1H.
What are the key properties of molecular hydrogen;propane;1H-quinolin-2-one?
molecular hydrogen;propane;1H-quinolin-2-one has a molecular weight of 191.27 g/mol, XLogP of 3.19, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;propane;1H-quinolin-2-one is sourced from PubChem (CID 142067755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).