carbon dioxide;1-(nitromethyl)-1-propylcyclopropane

C8H13NO4 — CID 157139404

IUPACcarbon dioxide;1-(nitromethyl)-1-propylcyclopropane
SMILESCCCC1(C[N+](=O)[O-])CC1.O=C=O
InChIInChI=1S/C7H13NO2.CO2/c1-2-3-7(4-5-7)6-8(9)10;2-1-3/h2-6H2,1H3;
InChIKeyAKAAHTOFBKVNCK-UHFFFAOYSA-N
MW187.19 g/mol
LogP1.26
Rot. Bonds4

About carbon dioxide;1-(nitromethyl)-1-propylcyclopropane

carbon dioxide;1-(nitromethyl)-1-propylcyclopropane (PubChem CID 157139404) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is carbon dioxide;1-(nitromethyl)-1-propylcyclopropane.

Molecular Properties

Compound Namecarbon dioxide;1-(nitromethyl)-1-propylcyclopropane
PubChem CID157139404
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Namecarbon dioxide;1-(nitromethyl)-1-propylcyclopropane
SMILESCCCC1(C[N+](=O)[O-])CC1.O=C=O
InChIInChI=1S/C7H13NO2.CO2/c1-2-3-7(4-5-7)6-8(9)10;2-1-3/h2-6H2,1H3;
InChIKeyAKAAHTOFBKVNCK-UHFFFAOYSA-N
XLogP1.26
TPSA77.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbon dioxide;1-(nitromethyl)-1-propylcyclopropane?
The IUPAC name of carbon dioxide;1-(nitromethyl)-1-propylcyclopropane (CID 157139404) is carbon dioxide;1-(nitromethyl)-1-propylcyclopropane.
What is the SMILES notation for carbon dioxide;1-(nitromethyl)-1-propylcyclopropane?
The canonical SMILES for carbon dioxide;1-(nitromethyl)-1-propylcyclopropane is CCCC1(C[N+](=O)[O-])CC1.O=C=O.
What is the InChIKey of carbon dioxide;1-(nitromethyl)-1-propylcyclopropane?
The InChIKey is AKAAHTOFBKVNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.CO2/c1-2-3-7(4-5-7)6-8(9)10;2-1-3/h2-6H2,1H3;.
What are the key properties of carbon dioxide;1-(nitromethyl)-1-propylcyclopropane?
carbon dioxide;1-(nitromethyl)-1-propylcyclopropane has a molecular weight of 187.19 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;1-(nitromethyl)-1-propylcyclopropane is sourced from PubChem (CID 157139404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).