2-methoxy-6-(1-nitrosopropan-2-yl)naphthalene

C14H15NO2 — CID 54435579

IUPAC2-methoxy-6-(1-nitrosopropan-2-yl)naphthalene
SMILESCOc1ccc2cc(C(C)CN=O)ccc2c1
InChIInChI=1S/C14H15NO2/c1-10(9-15-16)11-3-4-13-8-14(17-2)6-5-12(13)7-11/h3-8,10H,9H2,1-2H3
InChIKeyWKMNYTGBRCLQMR-UHFFFAOYSA-N
MW229.28 g/mol
LogP3.72
Rot. Bonds4

About 2-methoxy-6-(1-nitrosopropan-2-yl)naphthalene

2-methoxy-6-(1-nitrosopropan-2-yl)naphthalene (PubChem CID 54435579) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-methoxy-6-(1-nitrosopropan-2-yl)naphthalene.

Molecular Properties

Compound Name2-methoxy-6-(1-nitrosopropan-2-yl)naphthalene
PubChem CID54435579
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name2-methoxy-6-(1-nitrosopropan-2-yl)naphthalene
SMILESCOc1ccc2cc(C(C)CN=O)ccc2c1
InChIInChI=1S/C14H15NO2/c1-10(9-15-16)11-3-4-13-8-14(17-2)6-5-12(13)7-11/h3-8,10H,9H2,1-2H3
InChIKeyWKMNYTGBRCLQMR-UHFFFAOYSA-N
XLogP3.72
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(6-methoxynaphthalen-2-yl)propan-1-amine
CID 93286235
[(2S)-2-(6-methoxynaphthalen-2-yl)propyl] 2-methylpropanoate
CID 141195522
4-(6-methoxynaphthalen-2-yl)pentanoic acid
CID 113306207
4-(6-methoxynaphthalen-2-yl)-2-oxopentanoic acid
CID 177255800
N-ethyl-2-(6-methoxynaphthalen-2-yl)propan-1-amine
CID 54856188
N-[(2S)-2-(6-methoxynaphthalen-2-yl)propyl]carbamate
CID 170991435
N,N'-bis[1-(6-methoxynaphthalen-2-yl)ethyl]ethane-1,2-diamine
CID 23154308
2-[(1S)-1-isocyanatoethyl]-6-methoxynaphthalene
CID 5492450
3-(6-methoxynaphthalen-2-yl)butan-2-one
CID 13292512
hydroxy-(6-methoxynaphthalen-2-yl)methanesulfonic acid
CID 4161166
N-ethyl-1-(6-methoxynaphthalen-2-yl)ethanamine
CID 24708514
2-[2-(6-methoxynaphthalen-2-yl)propyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 174747907

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-(1-nitrosopropan-2-yl)naphthalene?
The IUPAC name of 2-methoxy-6-(1-nitrosopropan-2-yl)naphthalene (CID 54435579) is 2-methoxy-6-(1-nitrosopropan-2-yl)naphthalene.
What is the SMILES notation for 2-methoxy-6-(1-nitrosopropan-2-yl)naphthalene?
The canonical SMILES for 2-methoxy-6-(1-nitrosopropan-2-yl)naphthalene is COc1ccc2cc(C(C)CN=O)ccc2c1.
What is the InChIKey of 2-methoxy-6-(1-nitrosopropan-2-yl)naphthalene?
The InChIKey is WKMNYTGBRCLQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-10(9-15-16)11-3-4-13-8-14(17-2)6-5-12(13)7-11/h3-8,10H,9H2,1-2H3.
What are the key properties of 2-methoxy-6-(1-nitrosopropan-2-yl)naphthalene?
2-methoxy-6-(1-nitrosopropan-2-yl)naphthalene has a molecular weight of 229.28 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-(1-nitrosopropan-2-yl)naphthalene is sourced from PubChem (CID 54435579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).