2-methyl-1-nitrosobutane

C5H11NO — CID 54233319

IUPAC2-methyl-1-nitrosobutane
SMILESCCC(C)CN=O
InChIInChI=1S/C5H11NO/c1-3-5(2)4-6-7/h5H,3-4H2,1-2H3
InChIKeyVDRVYWVREAXLJT-UHFFFAOYSA-N
MW101.15 g/mol
LogP1.80
Rot. Bonds3

About 2-methyl-1-nitrosobutane

2-methyl-1-nitrosobutane (PubChem CID 54233319) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is 2-methyl-1-nitrosobutane.

Molecular Properties

Compound Name2-methyl-1-nitrosobutane
PubChem CID54233319
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC Name2-methyl-1-nitrosobutane
SMILESCCC(C)CN=O
InChIInChI=1S/C5H11NO/c1-3-5(2)4-6-7/h5H,3-4H2,1-2H3
InChIKeyVDRVYWVREAXLJT-UHFFFAOYSA-N
XLogP1.80
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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-methyl-1-nitrosobutane?
The IUPAC name of 2-methyl-1-nitrosobutane (CID 54233319) is 2-methyl-1-nitrosobutane.
What is the SMILES notation for 2-methyl-1-nitrosobutane?
The canonical SMILES for 2-methyl-1-nitrosobutane is CCC(C)CN=O.
What is the InChIKey of 2-methyl-1-nitrosobutane?
The InChIKey is VDRVYWVREAXLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO/c1-3-5(2)4-6-7/h5H,3-4H2,1-2H3.
What are the key properties of 2-methyl-1-nitrosobutane?
2-methyl-1-nitrosobutane has a molecular weight of 101.15 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-nitrosobutane is sourced from PubChem (CID 54233319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).