2,2-dimethyl-1-nitrosopentane

C7H15NO — CID 88870979

IUPAC2,2-dimethyl-1-nitrosopentane
SMILESCCCC(C)(C)CN=O
InChIInChI=1S/C7H15NO/c1-4-5-7(2,3)6-8-9/h4-6H2,1-3H3
InChIKeyPXWCQGKWLDBHTB-UHFFFAOYSA-N
MW129.20 g/mol
LogP2.58
Rot. Bonds4

About 2,2-dimethyl-1-nitrosopentane

2,2-dimethyl-1-nitrosopentane (PubChem CID 88870979) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 2,2-dimethyl-1-nitrosopentane.

Molecular Properties

Compound Name2,2-dimethyl-1-nitrosopentane
PubChem CID88870979
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name2,2-dimethyl-1-nitrosopentane
SMILESCCCC(C)(C)CN=O
InChIInChI=1S/C7H15NO/c1-4-5-7(2,3)6-8-9/h4-6H2,1-3H3
InChIKeyPXWCQGKWLDBHTB-UHFFFAOYSA-N
XLogP2.58
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-nitrosopentane?
The IUPAC name of 2,2-dimethyl-1-nitrosopentane (CID 88870979) is 2,2-dimethyl-1-nitrosopentane.
What is the SMILES notation for 2,2-dimethyl-1-nitrosopentane?
The canonical SMILES for 2,2-dimethyl-1-nitrosopentane is CCCC(C)(C)CN=O.
What is the InChIKey of 2,2-dimethyl-1-nitrosopentane?
The InChIKey is PXWCQGKWLDBHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-4-5-7(2,3)6-8-9/h4-6H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-nitrosopentane?
2,2-dimethyl-1-nitrosopentane has a molecular weight of 129.20 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-nitrosopentane is sourced from PubChem (CID 88870979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).