(2-methyl-2-nitrosocyclopropyl)benzene

C10H11NO — CID 88564269

IUPAC(2-methyl-2-nitrosocyclopropyl)benzene
SMILESCC1(N=O)CC1c1ccccc1
InChIInChI=1S/C10H11NO/c1-10(11-12)7-9(10)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3
InChIKeyZKHHLCJPEYIMBR-UHFFFAOYSA-N
MW161.20 g/mol
LogP2.70
Rot. Bonds2

About (2-methyl-2-nitrosocyclopropyl)benzene

(2-methyl-2-nitrosocyclopropyl)benzene (PubChem CID 88564269) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is (2-methyl-2-nitrosocyclopropyl)benzene.

Molecular Properties

Compound Name(2-methyl-2-nitrosocyclopropyl)benzene
PubChem CID88564269
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name(2-methyl-2-nitrosocyclopropyl)benzene
SMILESCC1(N=O)CC1c1ccccc1
InChIInChI=1S/C10H11NO/c1-10(11-12)7-9(10)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3
InChIKeyZKHHLCJPEYIMBR-UHFFFAOYSA-N
XLogP2.70
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-2-nitrosocyclopropyl)benzene?
The IUPAC name of (2-methyl-2-nitrosocyclopropyl)benzene (CID 88564269) is (2-methyl-2-nitrosocyclopropyl)benzene.
What is the SMILES notation for (2-methyl-2-nitrosocyclopropyl)benzene?
The canonical SMILES for (2-methyl-2-nitrosocyclopropyl)benzene is CC1(N=O)CC1c1ccccc1.
What is the InChIKey of (2-methyl-2-nitrosocyclopropyl)benzene?
The InChIKey is ZKHHLCJPEYIMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-10(11-12)7-9(10)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3.
What are the key properties of (2-methyl-2-nitrosocyclopropyl)benzene?
(2-methyl-2-nitrosocyclopropyl)benzene has a molecular weight of 161.20 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2-nitrosocyclopropyl)benzene is sourced from PubChem (CID 88564269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).