4-methyl-7-nitrosonaphthalen-2-amine

C11H10N2O — CID 163520250

IUPAC4-methyl-7-nitrosonaphthalen-2-amine
SMILESCc1cc(N)cc2cc(N=O)ccc12
InChIInChI=1S/C11H10N2O/c1-7-4-9(12)5-8-6-10(13-14)2-3-11(7)8/h2-6H,12H2,1H3
InChIKeyDKEWDSQJICNBSI-UHFFFAOYSA-N
MW186.21 g/mol
LogP3.13
Rot. Bonds1

About 4-methyl-7-nitrosonaphthalen-2-amine

4-methyl-7-nitrosonaphthalen-2-amine (PubChem CID 163520250) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 4-methyl-7-nitrosonaphthalen-2-amine.

Molecular Properties

Compound Name4-methyl-7-nitrosonaphthalen-2-amine
PubChem CID163520250
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name4-methyl-7-nitrosonaphthalen-2-amine
SMILESCc1cc(N)cc2cc(N=O)ccc12
InChIInChI=1S/C11H10N2O/c1-7-4-9(12)5-8-6-10(13-14)2-3-11(7)8/h2-6H,12H2,1H3
InChIKeyDKEWDSQJICNBSI-UHFFFAOYSA-N
XLogP3.13
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Naphthylamine
CID 8640
2-Naphthylamine
CID 7057
2-Aminoanthracene
CID 11937
1,5-Diaminonaphthalene
CID 16720
2-Nitronaphthalene
CID 11392
9-Aminophenanthrene
CID 13695
2,3-Diaminonaphthalene
CID 69872
2-Methyl-1-nitronaphthalene
CID 13432
N-hydroxy-1-naphthalenamine
CID 11828
2-Aminopyrene
CID 107762
1-Nitrosopyrene
CID 104777
5-Aminoacenaphthene
CID 62547

Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-nitrosonaphthalen-2-amine?
The IUPAC name of 4-methyl-7-nitrosonaphthalen-2-amine (CID 163520250) is 4-methyl-7-nitrosonaphthalen-2-amine.
What is the SMILES notation for 4-methyl-7-nitrosonaphthalen-2-amine?
The canonical SMILES for 4-methyl-7-nitrosonaphthalen-2-amine is Cc1cc(N)cc2cc(N=O)ccc12.
What is the InChIKey of 4-methyl-7-nitrosonaphthalen-2-amine?
The InChIKey is DKEWDSQJICNBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c1-7-4-9(12)5-8-6-10(13-14)2-3-11(7)8/h2-6H,12H2,1H3.
What are the key properties of 4-methyl-7-nitrosonaphthalen-2-amine?
4-methyl-7-nitrosonaphthalen-2-amine has a molecular weight of 186.21 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-nitrosonaphthalen-2-amine is sourced from PubChem (CID 163520250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).