3-(3-nitrosopent-1-enyl)quinoline

C14H14N2O — CID 90998630

IUPAC3-(3-nitrosopent-1-enyl)quinoline
SMILESCCC(C=Cc1cnc2ccccc2c1)N=O
InChIInChI=1S/C14H14N2O/c1-2-13(16-17)8-7-11-9-12-5-3-4-6-14(12)15-10-11/h3-10,13H,2H2,1H3
InChIKeyRRZIQETWXWQHFQ-UHFFFAOYSA-N
MW226.28 g/mol
LogP3.79
Rot. Bonds4

About 3-(3-nitrosopent-1-enyl)quinoline

3-(3-nitrosopent-1-enyl)quinoline (PubChem CID 90998630) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 3-(3-nitrosopent-1-enyl)quinoline.

Molecular Properties

Compound Name3-(3-nitrosopent-1-enyl)quinoline
PubChem CID90998630
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name3-(3-nitrosopent-1-enyl)quinoline
SMILESCCC(C=Cc1cnc2ccccc2c1)N=O
InChIInChI=1S/C14H14N2O/c1-2-13(16-17)8-7-11-9-12-5-3-4-6-14(12)15-10-11/h3-10,13H,2H2,1H3
InChIKeyRRZIQETWXWQHFQ-UHFFFAOYSA-N
XLogP3.79
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-nitrosopent-1-enyl)quinoline?
The IUPAC name of 3-(3-nitrosopent-1-enyl)quinoline (CID 90998630) is 3-(3-nitrosopent-1-enyl)quinoline.
What is the SMILES notation for 3-(3-nitrosopent-1-enyl)quinoline?
The canonical SMILES for 3-(3-nitrosopent-1-enyl)quinoline is CCC(C=Cc1cnc2ccccc2c1)N=O.
What is the InChIKey of 3-(3-nitrosopent-1-enyl)quinoline?
The InChIKey is RRZIQETWXWQHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-2-13(16-17)8-7-11-9-12-5-3-4-6-14(12)15-10-11/h3-10,13H,2H2,1H3.
What are the key properties of 3-(3-nitrosopent-1-enyl)quinoline?
3-(3-nitrosopent-1-enyl)quinoline has a molecular weight of 226.28 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-nitrosopent-1-enyl)quinoline is sourced from PubChem (CID 90998630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).