N-cyclopropyl-1-nitrosonaphthalen-2-amine

C13H12N2O — CID 12964568

IUPACN-cyclopropyl-1-nitrosonaphthalen-2-amine
SMILESO=Nc1c(NC2CC2)ccc2ccccc12
InChIInChI=1S/C13H12N2O/c16-15-13-11-4-2-1-3-9(11)5-8-12(13)14-10-6-7-10/h1-5,8,10,14H,6-7H2
InChIKeyIXEDNEWLCXGPPY-UHFFFAOYSA-N
MW212.25 g/mol
LogP3.81
Rot. Bonds3

About N-cyclopropyl-1-nitrosonaphthalen-2-amine

N-cyclopropyl-1-nitrosonaphthalen-2-amine (PubChem CID 12964568) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is N-cyclopropyl-1-nitrosonaphthalen-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-1-nitrosonaphthalen-2-amine
PubChem CID12964568
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC NameN-cyclopropyl-1-nitrosonaphthalen-2-amine
SMILESO=Nc1c(NC2CC2)ccc2ccccc12
InChIInChI=1S/C13H12N2O/c16-15-13-11-4-2-1-3-9(11)5-8-12(13)14-10-6-7-10/h1-5,8,10,14H,6-7H2
InChIKeyIXEDNEWLCXGPPY-UHFFFAOYSA-N
XLogP3.81
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-nitrosonaphthalen-2-amine?
The IUPAC name of N-cyclopropyl-1-nitrosonaphthalen-2-amine (CID 12964568) is N-cyclopropyl-1-nitrosonaphthalen-2-amine.
What is the SMILES notation for N-cyclopropyl-1-nitrosonaphthalen-2-amine?
The canonical SMILES for N-cyclopropyl-1-nitrosonaphthalen-2-amine is O=Nc1c(NC2CC2)ccc2ccccc12.
What is the InChIKey of N-cyclopropyl-1-nitrosonaphthalen-2-amine?
The InChIKey is IXEDNEWLCXGPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c16-15-13-11-4-2-1-3-9(11)5-8-12(13)14-10-6-7-10/h1-5,8,10,14H,6-7H2.
What are the key properties of N-cyclopropyl-1-nitrosonaphthalen-2-amine?
N-cyclopropyl-1-nitrosonaphthalen-2-amine has a molecular weight of 212.25 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-nitrosonaphthalen-2-amine is sourced from PubChem (CID 12964568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).