methyl 2-[(E)-3-azido-3-oxoprop-1-enyl]-4-methylfuro[3,2-b]pyrrole-5-carboxylate

C12H10N4O4 — CID 23238199

IUPACmethyl 2-[(E)-3-azido-3-oxoprop-1-enyl]-4-methylfuro[3,2-b]pyrrole-5-carboxylate
SMILESCOC(=O)c1cc2oc(/C=C/C(=O)N=[N+]=[N-])cc2n1C
InChIInChI=1S/C12H10N4O4/c1-16-8-5-7(3-4-11(17)14-15-13)20-10(8)6-9(16)12(18)19-2/h3-6H,1-2H3/b4-3+
InChIKeyPVJNTWOZSHBHAZ-ONEGZZNKSA-N
MW274.24 g/mol
LogP2.41
Rot. Bonds3

About methyl 2-[(E)-3-azido-3-oxoprop-1-enyl]-4-methylfuro[3,2-b]pyrrole-5-carboxylate

methyl 2-[(E)-3-azido-3-oxoprop-1-enyl]-4-methylfuro[3,2-b]pyrrole-5-carboxylate (PubChem CID 23238199) has the molecular formula C12H10N4O4 and a molecular weight of 274.24 g/mol. Its IUPAC name is methyl 2-[(E)-3-azido-3-oxoprop-1-enyl]-4-methylfuro[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(E)-3-azido-3-oxoprop-1-enyl]-4-methylfuro[3,2-b]pyrrole-5-carboxylate
PubChem CID23238199
Molecular FormulaC12H10N4O4
Molecular Weight274.24 g/mol
Exact Mass274.07
IUPAC Namemethyl 2-[(E)-3-azido-3-oxoprop-1-enyl]-4-methylfuro[3,2-b]pyrrole-5-carboxylate
SMILESCOC(=O)c1cc2oc(/C=C/C(=O)N=[N+]=[N-])cc2n1C
InChIInChI=1S/C12H10N4O4/c1-16-8-5-7(3-4-11(17)14-15-13)20-10(8)6-9(16)12(18)19-2/h3-6H,1-2H3/b4-3+
InChIKeyPVJNTWOZSHBHAZ-ONEGZZNKSA-N
XLogP2.41
TPSA110.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[(E)-3-azido-3-oxoprop-1-enyl]-4-methylfuro[3,2-b]pyrrole-5-carboxylate
CID 23238201
methyl 2-[(E)-(dimethylhydrazinylidene)methyl]-4-methylfuro[3,2-b]pyrrole-5-carboxylate
CID 44726886
methyl 2-[(E)-3-azido-3-oxoprop-1-enyl]benzoate
CID 150048479
methyl 2-chloro-7-methylpyrrolo[2,3-d]pyrimidine-6-carboxylate
CID 118997943
methyl 3-methyl-6-oxo-2-sulfanylidene-1,3-oxazine-4-carboxylate
CID 588940
methyl 5-methoxy-1-methylpyrrolo[2,3-c]pyridine-2-carboxylate
CID 67366332
methyl 4-chloro-1-methylindole-2-carboxylate
CID 4777691
3-(4-methoxycarbonyl-5-methylfuran-2-yl)prop-2-enoic acid
CID 53405830
methyl 5-ethoxy-1-methylindole-2-carboxylate
CID 4777688
methyl 4-chloro-5-methoxy-1-methylindole-2-carboxylate
CID 130408728
methyl 3-methyl-2-oxo-1,3-benzoxazole-6-carboxylate
CID 15122885
methyl 5-chloro-1-methylindole-2-carboxylate
CID 4777715

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(E)-3-azido-3-oxoprop-1-enyl]-4-methylfuro[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of methyl 2-[(E)-3-azido-3-oxoprop-1-enyl]-4-methylfuro[3,2-b]pyrrole-5-carboxylate (CID 23238199) is methyl 2-[(E)-3-azido-3-oxoprop-1-enyl]-4-methylfuro[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for methyl 2-[(E)-3-azido-3-oxoprop-1-enyl]-4-methylfuro[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for methyl 2-[(E)-3-azido-3-oxoprop-1-enyl]-4-methylfuro[3,2-b]pyrrole-5-carboxylate is COC(=O)c1cc2oc(/C=C/C(=O)N=[N+]=[N-])cc2n1C.
What is the InChIKey of methyl 2-[(E)-3-azido-3-oxoprop-1-enyl]-4-methylfuro[3,2-b]pyrrole-5-carboxylate?
The InChIKey is PVJNTWOZSHBHAZ-ONEGZZNKSA-N. The full InChI is InChI=1S/C12H10N4O4/c1-16-8-5-7(3-4-11(17)14-15-13)20-10(8)6-9(16)12(18)19-2/h3-6H,1-2H3/b4-3+.
What are the key properties of methyl 2-[(E)-3-azido-3-oxoprop-1-enyl]-4-methylfuro[3,2-b]pyrrole-5-carboxylate?
methyl 2-[(E)-3-azido-3-oxoprop-1-enyl]-4-methylfuro[3,2-b]pyrrole-5-carboxylate has a molecular weight of 274.24 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(E)-3-azido-3-oxoprop-1-enyl]-4-methylfuro[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 23238199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).