1-ethyl-2-nitrosocyclopropane

C5H9NO — CID 147712451

IUPAC1-ethyl-2-nitrosocyclopropane
SMILESCCC1CC1N=O
InChIInChI=1S/C5H9NO/c1-2-4-3-5(4)6-7/h4-5H,2-3H2,1H3
InChIKeyGUZCBLOFKVRJMU-UHFFFAOYSA-N
MW99.13 g/mol
LogP1.55
Rot. Bonds2

About 1-ethyl-2-nitrosocyclopropane

1-ethyl-2-nitrosocyclopropane (PubChem CID 147712451) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is 1-ethyl-2-nitrosocyclopropane.

Molecular Properties

Compound Name1-ethyl-2-nitrosocyclopropane
PubChem CID147712451
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name1-ethyl-2-nitrosocyclopropane
SMILESCCC1CC1N=O
InChIInChI=1S/C5H9NO/c1-2-4-3-5(4)6-7/h4-5H,2-3H2,1H3
InChIKeyGUZCBLOFKVRJMU-UHFFFAOYSA-N
XLogP1.55
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-nitrosocyclopropane?
The IUPAC name of 1-ethyl-2-nitrosocyclopropane (CID 147712451) is 1-ethyl-2-nitrosocyclopropane.
What is the SMILES notation for 1-ethyl-2-nitrosocyclopropane?
The canonical SMILES for 1-ethyl-2-nitrosocyclopropane is CCC1CC1N=O.
What is the InChIKey of 1-ethyl-2-nitrosocyclopropane?
The InChIKey is GUZCBLOFKVRJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO/c1-2-4-3-5(4)6-7/h4-5H,2-3H2,1H3.
What are the key properties of 1-ethyl-2-nitrosocyclopropane?
1-ethyl-2-nitrosocyclopropane has a molecular weight of 99.13 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-nitrosocyclopropane is sourced from PubChem (CID 147712451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).