ethyl 1-(2-iminoethyl)cyclopentane-1-carboxylate

C10H17NO2 — CID 142022713

IUPACethyl 1-(2-iminoethyl)cyclopentane-1-carboxylate
SMILES[H]/N=C/CC1(C(=O)OCC)CCCC1
InChIInChI=1S/C10H17NO2/c1-2-13-9(12)10(7-8-11)5-3-4-6-10/h8,11H,2-7H2,1H3/b11-8+
InChIKeyQKYIPYPSZMJPJA-DHZHZOJOSA-N
MW183.25 g/mol
LogP2.15
Rot. Bonds4

About ethyl 1-(2-iminoethyl)cyclopentane-1-carboxylate

ethyl 1-(2-iminoethyl)cyclopentane-1-carboxylate (PubChem CID 142022713) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is ethyl 1-(2-iminoethyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-iminoethyl)cyclopentane-1-carboxylate
PubChem CID142022713
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Nameethyl 1-(2-iminoethyl)cyclopentane-1-carboxylate
SMILES[H]/N=C/CC1(C(=O)OCC)CCCC1
InChIInChI=1S/C10H17NO2/c1-2-13-9(12)10(7-8-11)5-3-4-6-10/h8,11H,2-7H2,1H3/b11-8+
InChIKeyQKYIPYPSZMJPJA-DHZHZOJOSA-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 1-(2-iminoethyl)cyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-(2-iminoethyl)cyclopentane-1-carboxylate (CID 142022713) is ethyl 1-(2-iminoethyl)cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-(2-iminoethyl)cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-(2-iminoethyl)cyclopentane-1-carboxylate is [H]/N=C/CC1(C(=O)OCC)CCCC1.
What is the InChIKey of ethyl 1-(2-iminoethyl)cyclopentane-1-carboxylate?
The InChIKey is QKYIPYPSZMJPJA-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H17NO2/c1-2-13-9(12)10(7-8-11)5-3-4-6-10/h8,11H,2-7H2,1H3/b11-8+.
What are the key properties of ethyl 1-(2-iminoethyl)cyclopentane-1-carboxylate?
ethyl 1-(2-iminoethyl)cyclopentane-1-carboxylate 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 1-(2-iminoethyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 142022713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).