methyl 3-imino-2-methylcyclopentene-1-carboxylate

C8H11NO2 — CID 123903595

IUPACmethyl 3-imino-2-methylcyclopentene-1-carboxylate
SMILES[H]/N=C1\CCC(C(=O)OC)=C1C
InChIInChI=1S/C8H11NO2/c1-5-6(8(10)11-2)3-4-7(5)9/h9H,3-4H2,1-2H3/b9-7+
InChIKeyMYNMVDWDACRDKU-VQHVLOKHSA-N
MW153.18 g/mol
LogP1.29
Rot. Bonds1

About methyl 3-imino-2-methylcyclopentene-1-carboxylate

methyl 3-imino-2-methylcyclopentene-1-carboxylate (PubChem CID 123903595) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is methyl 3-imino-2-methylcyclopentene-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-imino-2-methylcyclopentene-1-carboxylate
PubChem CID123903595
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Namemethyl 3-imino-2-methylcyclopentene-1-carboxylate
SMILES[H]/N=C1\CCC(C(=O)OC)=C1C
InChIInChI=1S/C8H11NO2/c1-5-6(8(10)11-2)3-4-7(5)9/h9H,3-4H2,1-2H3/b9-7+
InChIKeyMYNMVDWDACRDKU-VQHVLOKHSA-N
XLogP1.29
TPSA50.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.29
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 methyl 3-imino-2-methylcyclopentene-1-carboxylate?
The IUPAC name of methyl 3-imino-2-methylcyclopentene-1-carboxylate (CID 123903595) is methyl 3-imino-2-methylcyclopentene-1-carboxylate.
What is the SMILES notation for methyl 3-imino-2-methylcyclopentene-1-carboxylate?
The canonical SMILES for methyl 3-imino-2-methylcyclopentene-1-carboxylate is [H]/N=C1\CCC(C(=O)OC)=C1C.
What is the InChIKey of methyl 3-imino-2-methylcyclopentene-1-carboxylate?
The InChIKey is MYNMVDWDACRDKU-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H11NO2/c1-5-6(8(10)11-2)3-4-7(5)9/h9H,3-4H2,1-2H3/b9-7+.
What are the key properties of methyl 3-imino-2-methylcyclopentene-1-carboxylate?
methyl 3-imino-2-methylcyclopentene-1-carboxylate has a molecular weight of 153.18 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-imino-2-methylcyclopentene-1-carboxylate is sourced from PubChem (CID 123903595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).