methyl 2-[(E)-(dimethylhydrazinylidene)methyl]-4-methylfuro[3,2-b]pyrrole-5-carboxylate

C12H15N3O3 — CID 44726886

IUPACmethyl 2-[(E)-(dimethylhydrazinylidene)methyl]-4-methylfuro[3,2-b]pyrrole-5-carboxylate
SMILESCOC(=O)c1cc2oc(/C=N/N(C)C)cc2n1C
InChIInChI=1S/C12H15N3O3/c1-14(2)13-7-8-5-9-11(18-8)6-10(15(9)3)12(16)17-4/h5-7H,1-4H3/b13-7+
InChIKeyPRJFRICMEQEKSZ-NTUHNPAUSA-N
MW249.27 g/mol
LogP1.45
Rot. Bonds3

About methyl 2-[(E)-(dimethylhydrazinylidene)methyl]-4-methylfuro[3,2-b]pyrrole-5-carboxylate

methyl 2-[(E)-(dimethylhydrazinylidene)methyl]-4-methylfuro[3,2-b]pyrrole-5-carboxylate (PubChem CID 44726886) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is methyl 2-[(E)-(dimethylhydrazinylidene)methyl]-4-methylfuro[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(E)-(dimethylhydrazinylidene)methyl]-4-methylfuro[3,2-b]pyrrole-5-carboxylate
PubChem CID44726886
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Namemethyl 2-[(E)-(dimethylhydrazinylidene)methyl]-4-methylfuro[3,2-b]pyrrole-5-carboxylate
SMILESCOC(=O)c1cc2oc(/C=N/N(C)C)cc2n1C
InChIInChI=1S/C12H15N3O3/c1-14(2)13-7-8-5-9-11(18-8)6-10(15(9)3)12(16)17-4/h5-7H,1-4H3/b13-7+
InChIKeyPRJFRICMEQEKSZ-NTUHNPAUSA-N
XLogP1.45
TPSA59.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(E)-3-azido-3-oxoprop-1-enyl]-4-methylfuro[3,2-b]pyrrole-5-carboxylate
CID 23238199
ethyl 2-[(E)-3-azido-3-oxoprop-1-enyl]-4-methylfuro[3,2-b]pyrrole-5-carboxylate
CID 23238201
methyl 4-chloro-5-methoxy-1-methylindole-2-carboxylate
CID 130408728
methyl 1-methyl-4-(trifluoromethyl)indole-2-carboxylate
CID 15550269
methyl 4-chloro-1-methylindole-2-carboxylate
CID 4777691
methyl 1-methyl-6-propan-2-ylindole-2-carboxylate
CID 169494744
methyl 3-methyl-6-oxo-2-sulfanylidene-1,3-oxazine-4-carboxylate
CID 588940
methyl 2-chloro-7-methylpyrrolo[2,3-d]pyrimidine-6-carboxylate
CID 118997943
methyl 5-methoxy-1-methylpyrrolo[2,3-c]pyridine-2-carboxylate
CID 67366332
methyl 4-chlorosulfonyl-1,5-dimethylpyrrole-2-carboxylate
CID 83488420
methyl 5-ethoxy-1-methylindole-2-carboxylate
CID 4777688
methyl 3-methyl-2-oxo-1,3-benzoxazole-6-carboxylate
CID 15122885

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(E)-(dimethylhydrazinylidene)methyl]-4-methylfuro[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of methyl 2-[(E)-(dimethylhydrazinylidene)methyl]-4-methylfuro[3,2-b]pyrrole-5-carboxylate (CID 44726886) is methyl 2-[(E)-(dimethylhydrazinylidene)methyl]-4-methylfuro[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for methyl 2-[(E)-(dimethylhydrazinylidene)methyl]-4-methylfuro[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for methyl 2-[(E)-(dimethylhydrazinylidene)methyl]-4-methylfuro[3,2-b]pyrrole-5-carboxylate is COC(=O)c1cc2oc(/C=N/N(C)C)cc2n1C.
What is the InChIKey of methyl 2-[(E)-(dimethylhydrazinylidene)methyl]-4-methylfuro[3,2-b]pyrrole-5-carboxylate?
The InChIKey is PRJFRICMEQEKSZ-NTUHNPAUSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-14(2)13-7-8-5-9-11(18-8)6-10(15(9)3)12(16)17-4/h5-7H,1-4H3/b13-7+.
What are the key properties of methyl 2-[(E)-(dimethylhydrazinylidene)methyl]-4-methylfuro[3,2-b]pyrrole-5-carboxylate?
methyl 2-[(E)-(dimethylhydrazinylidene)methyl]-4-methylfuro[3,2-b]pyrrole-5-carboxylate has a molecular weight of 249.27 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(E)-(dimethylhydrazinylidene)methyl]-4-methylfuro[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 44726886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).