methyl 3-(1-nitrocyclopentyl)propanoate

C9H15NO4 — CID 14319079

IUPACmethyl 3-(1-nitrocyclopentyl)propanoate
SMILESCOC(=O)CCC1([N+](=O)[O-])CCCC1
InChIInChI=1S/C9H15NO4/c1-14-8(11)4-7-9(10(12)13)5-2-3-6-9/h2-7H2,1H3
InChIKeyKBIZEISMECEZNS-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.53
Rot. Bonds4

About methyl 3-(1-nitrocyclopentyl)propanoate

methyl 3-(1-nitrocyclopentyl)propanoate (PubChem CID 14319079) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is methyl 3-(1-nitrocyclopentyl)propanoate.

Molecular Properties

Compound Namemethyl 3-(1-nitrocyclopentyl)propanoate
PubChem CID14319079
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Namemethyl 3-(1-nitrocyclopentyl)propanoate
SMILESCOC(=O)CCC1([N+](=O)[O-])CCCC1
InChIInChI=1S/C9H15NO4/c1-14-8(11)4-7-9(10(12)13)5-2-3-6-9/h2-7H2,1H3
InChIKeyKBIZEISMECEZNS-UHFFFAOYSA-N
XLogP1.53
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.53
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 methyl 3-(1-nitrocyclopentyl)propanoate?
The IUPAC name of methyl 3-(1-nitrocyclopentyl)propanoate (CID 14319079) is methyl 3-(1-nitrocyclopentyl)propanoate.
What is the SMILES notation for methyl 3-(1-nitrocyclopentyl)propanoate?
The canonical SMILES for methyl 3-(1-nitrocyclopentyl)propanoate is COC(=O)CCC1([N+](=O)[O-])CCCC1.
What is the InChIKey of methyl 3-(1-nitrocyclopentyl)propanoate?
The InChIKey is KBIZEISMECEZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-14-8(11)4-7-9(10(12)13)5-2-3-6-9/h2-7H2,1H3.
What are the key properties of methyl 3-(1-nitrocyclopentyl)propanoate?
methyl 3-(1-nitrocyclopentyl)propanoate has a molecular weight of 201.22 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1-nitrocyclopentyl)propanoate is sourced from PubChem (CID 14319079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).