1-methyl-2-(nitrosomethyl)benzene;prop-1-ene

C11H15NO — CID 142083370

IUPAC1-methyl-2-(nitrosomethyl)benzene;prop-1-ene
SMILESC=CC.Cc1ccccc1CN=O
InChIInChI=1S/C8H9NO.C3H6/c1-7-4-2-3-5-8(7)6-9-10;1-3-2/h2-5H,6H2,1H3;3H,1H2,2H3
InChIKeyIJQFSMTZIDDFJJ-UHFFFAOYSA-N
MW177.25 g/mol
LogP3.45
Rot. Bonds2

About 1-methyl-2-(nitrosomethyl)benzene;prop-1-ene

1-methyl-2-(nitrosomethyl)benzene;prop-1-ene (PubChem CID 142083370) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 1-methyl-2-(nitrosomethyl)benzene;prop-1-ene.

Molecular Properties

Compound Name1-methyl-2-(nitrosomethyl)benzene;prop-1-ene
PubChem CID142083370
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name1-methyl-2-(nitrosomethyl)benzene;prop-1-ene
SMILESC=CC.Cc1ccccc1CN=O
InChIInChI=1S/C8H9NO.C3H6/c1-7-4-2-3-5-8(7)6-9-10;1-3-2/h2-5H,6H2,1H3;3H,1H2,2H3
InChIKeyIJQFSMTZIDDFJJ-UHFFFAOYSA-N
XLogP3.45
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-2-prop-2-enylbenzene;sulfane
CID 174918280
methane;1-methyl-2-prop-2-enylbenzene
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N,N-dimethyl-2-(nitrosomethyl)aniline
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1-methyl-2-[[methyl-[(2-methylphenyl)methyl]phosphoryl]methyl]benzene
CID 145133385
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CID 43616523
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(nitrosomethyl)benzene;prop-1-ene?
The IUPAC name of 1-methyl-2-(nitrosomethyl)benzene;prop-1-ene (CID 142083370) is 1-methyl-2-(nitrosomethyl)benzene;prop-1-ene.
What is the SMILES notation for 1-methyl-2-(nitrosomethyl)benzene;prop-1-ene?
The canonical SMILES for 1-methyl-2-(nitrosomethyl)benzene;prop-1-ene is C=CC.Cc1ccccc1CN=O.
What is the InChIKey of 1-methyl-2-(nitrosomethyl)benzene;prop-1-ene?
The InChIKey is IJQFSMTZIDDFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO.C3H6/c1-7-4-2-3-5-8(7)6-9-10;1-3-2/h2-5H,6H2,1H3;3H,1H2,2H3.
What are the key properties of 1-methyl-2-(nitrosomethyl)benzene;prop-1-ene?
1-methyl-2-(nitrosomethyl)benzene;prop-1-ene has a molecular weight of 177.25 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(nitrosomethyl)benzene;prop-1-ene is sourced from PubChem (CID 142083370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).