methyl 4-propan-2-ylidene-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate

C12H15NO2 — CID 66873958

IUPACmethyl 4-propan-2-ylidene-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate
SMILESCOC(=O)c1cc2c([nH]1)CCC2=C(C)C
InChIInChI=1S/C12H15NO2/c1-7(2)8-4-5-10-9(8)6-11(13-10)12(14)15-3/h6,13H,4-5H2,1-3H3
InChIKeyXADWNXMUIAOJRW-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.54
Rot. Bonds1

About methyl 4-propan-2-ylidene-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate

methyl 4-propan-2-ylidene-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate (PubChem CID 66873958) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is methyl 4-propan-2-ylidene-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-propan-2-ylidene-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate
PubChem CID66873958
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Namemethyl 4-propan-2-ylidene-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate
SMILESCOC(=O)c1cc2c([nH]1)CCC2=C(C)C
InChIInChI=1S/C12H15NO2/c1-7(2)8-4-5-10-9(8)6-11(13-10)12(14)15-3/h6,13H,4-5H2,1-3H3
InChIKeyXADWNXMUIAOJRW-UHFFFAOYSA-N
XLogP2.54
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (4E)-4-(2-methylpropylidene)-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate
CID 66873389
methyl 4-(2-phenylethylidene)-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate
CID 67269524
methyl (4Z)-4-[(3-methylphenyl)methylidene]-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate
CID 66873009
methyl (4Z)-4-(naphthalen-2-ylmethylidene)-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate
CID 66874077
methyl 4-(naphthalen-2-ylmethylidene)-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate
CID 66874079
methyl (4E)-4-[(3-methoxyphenyl)methylidene]-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate
CID 67268992
methyl (4E)-4-benzylidene-1,5,6,7-tetrahydroindole-2-carboxylate
CID 59153336
methyl 7-methoxy-4-oxo-5,6,7,8-tetrahydro-1H-quinoline-2-carboxylate
CID 163489322
methyl (4E)-4-[(3-phenylphenyl)methylidene]-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate
CID 66873447
methyl 4-(3,5-dimethylphenyl)-1,6-dihydrocyclopenta[b]pyrrole-2-carboxylate
CID 66874027
methyl 4-oxo-2-sulfanylidene-1H-pyrimidine-6-carboxylate
CID 3825232
methyl 5-oxo-1,2-dihydropyrazole-3-carboxylate
CID 6957297

Frequently Asked Questions

What is the IUPAC name of methyl 4-propan-2-ylidene-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate?
The IUPAC name of methyl 4-propan-2-ylidene-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate (CID 66873958) is methyl 4-propan-2-ylidene-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-propan-2-ylidene-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate?
The canonical SMILES for methyl 4-propan-2-ylidene-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate is COC(=O)c1cc2c([nH]1)CCC2=C(C)C.
What is the InChIKey of methyl 4-propan-2-ylidene-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate?
The InChIKey is XADWNXMUIAOJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-7(2)8-4-5-10-9(8)6-11(13-10)12(14)15-3/h6,13H,4-5H2,1-3H3.
What are the key properties of methyl 4-propan-2-ylidene-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate?
methyl 4-propan-2-ylidene-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate has a molecular weight of 205.26 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-propan-2-ylidene-5,6-dihydro-1H-cyclopenta[b]pyrrole-2-carboxylate is sourced from PubChem (CID 66873958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).