ethyl 3-cyclopentyl-3-iminopropanoate

C10H17NO2 — CID 57069512

IUPACethyl 3-cyclopentyl-3-iminopropanoate
SMILES[H]/N=C(\CC(=O)OCC)C1CCCC1
InChIInChI=1S/C10H17NO2/c1-2-13-10(12)7-9(11)8-5-3-4-6-8/h8,11H,2-7H2,1H3/b11-9+
InChIKeyZYAJCVFRGIHYJH-PKNBQFBNSA-N
MW183.25 g/mol
LogP2.15
Rot. Bonds4

About ethyl 3-cyclopentyl-3-iminopropanoate

ethyl 3-cyclopentyl-3-iminopropanoate (PubChem CID 57069512) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is ethyl 3-cyclopentyl-3-iminopropanoate.

Molecular Properties

Compound Nameethyl 3-cyclopentyl-3-iminopropanoate
PubChem CID57069512
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Nameethyl 3-cyclopentyl-3-iminopropanoate
SMILES[H]/N=C(\CC(=O)OCC)C1CCCC1
InChIInChI=1S/C10H17NO2/c1-2-13-10(12)7-9(11)8-5-3-4-6-8/h8,11H,2-7H2,1H3/b11-9+
InChIKeyZYAJCVFRGIHYJH-PKNBQFBNSA-N
XLogP2.15
TPSA50.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-cyclopentyl-3-iminopropanoate?
The IUPAC name of ethyl 3-cyclopentyl-3-iminopropanoate (CID 57069512) is ethyl 3-cyclopentyl-3-iminopropanoate.
What is the SMILES notation for ethyl 3-cyclopentyl-3-iminopropanoate?
The canonical SMILES for ethyl 3-cyclopentyl-3-iminopropanoate is [H]/N=C(\CC(=O)OCC)C1CCCC1.
What is the InChIKey of ethyl 3-cyclopentyl-3-iminopropanoate?
The InChIKey is ZYAJCVFRGIHYJH-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H17NO2/c1-2-13-10(12)7-9(11)8-5-3-4-6-8/h8,11H,2-7H2,1H3/b11-9+.
What are the key properties of ethyl 3-cyclopentyl-3-iminopropanoate?
ethyl 3-cyclopentyl-3-iminopropanoate has a molecular weight of 183.25 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-cyclopentyl-3-iminopropanoate is sourced from PubChem (CID 57069512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).