2,2-dimethyl-1-nitrosopropane

C5H11NO — CID 54307031

IUPAC2,2-dimethyl-1-nitrosopropane
SMILESCC(C)(C)CN=O
InChIInChI=1S/C5H11NO/c1-5(2,3)4-6-7/h4H2,1-3H3
InChIKeySIGGFDBTJPWURT-UHFFFAOYSA-N
MW101.15 g/mol
LogP1.80
Rot. Bonds1

About 2,2-dimethyl-1-nitrosopropane

2,2-dimethyl-1-nitrosopropane (PubChem CID 54307031) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is 2,2-dimethyl-1-nitrosopropane.

Molecular Properties

Compound Name2,2-dimethyl-1-nitrosopropane
PubChem CID54307031
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC Name2,2-dimethyl-1-nitrosopropane
SMILESCC(C)(C)CN=O
InChIInChI=1S/C5H11NO/c1-5(2,3)4-6-7/h4H2,1-3H3
InChIKeySIGGFDBTJPWURT-UHFFFAOYSA-N
XLogP1.80
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 51.80
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-nitrosopropane?
The IUPAC name of 2,2-dimethyl-1-nitrosopropane (CID 54307031) is 2,2-dimethyl-1-nitrosopropane.
What is the SMILES notation for 2,2-dimethyl-1-nitrosopropane?
The canonical SMILES for 2,2-dimethyl-1-nitrosopropane is CC(C)(C)CN=O.
What is the InChIKey of 2,2-dimethyl-1-nitrosopropane?
The InChIKey is SIGGFDBTJPWURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO/c1-5(2,3)4-6-7/h4H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-nitrosopropane?
2,2-dimethyl-1-nitrosopropane has a molecular weight of 101.15 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-nitrosopropane is sourced from PubChem (CID 54307031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).