1-methyl-3-(nitrosomethyl)-5-propan-2-ylbenzene

C11H15NO — CID 155249837

IUPAC1-methyl-3-(nitrosomethyl)-5-propan-2-ylbenzene
SMILESCc1cc(CN=O)cc(C(C)C)c1
InChIInChI=1S/C11H15NO/c1-8(2)11-5-9(3)4-10(6-11)7-12-13/h4-6,8H,7H2,1-3H3
InChIKeyLAUNQWRWNFVSPN-UHFFFAOYSA-N
MW177.25 g/mol
LogP3.38
Rot. Bonds3

About 1-methyl-3-(nitrosomethyl)-5-propan-2-ylbenzene

1-methyl-3-(nitrosomethyl)-5-propan-2-ylbenzene (PubChem CID 155249837) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 1-methyl-3-(nitrosomethyl)-5-propan-2-ylbenzene.

Molecular Properties

Compound Name1-methyl-3-(nitrosomethyl)-5-propan-2-ylbenzene
PubChem CID155249837
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name1-methyl-3-(nitrosomethyl)-5-propan-2-ylbenzene
SMILESCc1cc(CN=O)cc(C(C)C)c1
InChIInChI=1S/C11H15NO/c1-8(2)11-5-9(3)4-10(6-11)7-12-13/h4-6,8H,7H2,1-3H3
InChIKeyLAUNQWRWNFVSPN-UHFFFAOYSA-N
XLogP3.38
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(nitrosomethyl)-5-propan-2-ylbenzene?
The IUPAC name of 1-methyl-3-(nitrosomethyl)-5-propan-2-ylbenzene (CID 155249837) is 1-methyl-3-(nitrosomethyl)-5-propan-2-ylbenzene.
What is the SMILES notation for 1-methyl-3-(nitrosomethyl)-5-propan-2-ylbenzene?
The canonical SMILES for 1-methyl-3-(nitrosomethyl)-5-propan-2-ylbenzene is Cc1cc(CN=O)cc(C(C)C)c1.
What is the InChIKey of 1-methyl-3-(nitrosomethyl)-5-propan-2-ylbenzene?
The InChIKey is LAUNQWRWNFVSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-8(2)11-5-9(3)4-10(6-11)7-12-13/h4-6,8H,7H2,1-3H3.
What are the key properties of 1-methyl-3-(nitrosomethyl)-5-propan-2-ylbenzene?
1-methyl-3-(nitrosomethyl)-5-propan-2-ylbenzene has a molecular weight of 177.25 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(nitrosomethyl)-5-propan-2-ylbenzene is sourced from PubChem (CID 155249837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).