tert-butyl 2-iminocyclopentane-1-carboxylate

C10H17NO2 — CID 91207213

IUPACtert-butyl 2-iminocyclopentane-1-carboxylate
SMILES[H]/N=C1\CCCC1C(=O)OC(C)(C)C
InChIInChI=1S/C10H17NO2/c1-10(2,3)13-9(12)7-5-4-6-8(7)11/h7,11H,4-6H2,1-3H3/b11-8+
InChIKeySGMXJYGJZCFAAV-DHZHZOJOSA-N
MW183.25 g/mol
LogP2.15
Rot. Bonds1

About tert-butyl 2-iminocyclopentane-1-carboxylate

tert-butyl 2-iminocyclopentane-1-carboxylate (PubChem CID 91207213) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is tert-butyl 2-iminocyclopentane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-iminocyclopentane-1-carboxylate
PubChem CID91207213
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Nametert-butyl 2-iminocyclopentane-1-carboxylate
SMILES[H]/N=C1\CCCC1C(=O)OC(C)(C)C
InChIInChI=1S/C10H17NO2/c1-10(2,3)13-9(12)7-5-4-6-8(7)11/h7,11H,4-6H2,1-3H3/b11-8+
InChIKeySGMXJYGJZCFAAV-DHZHZOJOSA-N
XLogP2.15
TPSA50.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
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'}

Analyze tert-butyl 2-iminocyclopentane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-iminocyclopentane-1-carboxylate?
The IUPAC name of tert-butyl 2-iminocyclopentane-1-carboxylate (CID 91207213) is tert-butyl 2-iminocyclopentane-1-carboxylate.
What is the SMILES notation for tert-butyl 2-iminocyclopentane-1-carboxylate?
The canonical SMILES for tert-butyl 2-iminocyclopentane-1-carboxylate is [H]/N=C1\CCCC1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-iminocyclopentane-1-carboxylate?
The InChIKey is SGMXJYGJZCFAAV-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H17NO2/c1-10(2,3)13-9(12)7-5-4-6-8(7)11/h7,11H,4-6H2,1-3H3/b11-8+.
What are the key properties of tert-butyl 2-iminocyclopentane-1-carboxylate?
tert-butyl 2-iminocyclopentane-1-carboxylate has a molecular weight of 183.25 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-iminocyclopentane-1-carboxylate is sourced from PubChem (CID 91207213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).