methyliminomethyl pyrrolidine-1-carboxylate

C7H12N2O2 — CID 175073668

IUPACmethyliminomethyl pyrrolidine-1-carboxylate
SMILESC/N=C/OC(=O)N1CCCC1
InChIInChI=1S/C7H12N2O2/c1-8-6-11-7(10)9-4-2-3-5-9/h6H,2-5H2,1H3/b8-6+
InChIKeyYYUXAYVEUODPLQ-SOFGYWHQSA-N
MW156.19 g/mol
LogP0.88
Rot. Bonds1

About methyliminomethyl pyrrolidine-1-carboxylate

methyliminomethyl pyrrolidine-1-carboxylate (PubChem CID 175073668) has the molecular formula C7H12N2O2 and a molecular weight of 156.19 g/mol. Its IUPAC name is methyliminomethyl pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namemethyliminomethyl pyrrolidine-1-carboxylate
PubChem CID175073668
Molecular FormulaC7H12N2O2
Molecular Weight156.19 g/mol
Exact Mass156.09
IUPAC Namemethyliminomethyl pyrrolidine-1-carboxylate
SMILESC/N=C/OC(=O)N1CCCC1
InChIInChI=1S/C7H12N2O2/c1-8-6-11-7(10)9-4-2-3-5-9/h6H,2-5H2,1H3/b8-6+
InChIKeyYYUXAYVEUODPLQ-SOFGYWHQSA-N
XLogP0.88
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyliminomethyl pyrrolidine-1-carboxylate?
The IUPAC name of methyliminomethyl pyrrolidine-1-carboxylate (CID 175073668) is methyliminomethyl pyrrolidine-1-carboxylate.
What is the SMILES notation for methyliminomethyl pyrrolidine-1-carboxylate?
The canonical SMILES for methyliminomethyl pyrrolidine-1-carboxylate is C/N=C/OC(=O)N1CCCC1.
What is the InChIKey of methyliminomethyl pyrrolidine-1-carboxylate?
The InChIKey is YYUXAYVEUODPLQ-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-8-6-11-7(10)9-4-2-3-5-9/h6H,2-5H2,1H3/b8-6+.
What are the key properties of methyliminomethyl pyrrolidine-1-carboxylate?
methyliminomethyl pyrrolidine-1-carboxylate has a molecular weight of 156.19 g/mol, XLogP of 0.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyliminomethyl pyrrolidine-1-carboxylate is sourced from PubChem (CID 175073668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).