benzyl 2,3-dihydropyrrole-1-carboxylate

C12H13NO2 — CID 11074472

IUPACbenzyl 2,3-dihydropyrrole-1-carboxylate
SMILESO=C(OCc1ccccc1)N1C=CCC1
InChIInChI=1S/C12H13NO2/c14-12(13-8-4-5-9-13)15-10-11-6-2-1-3-7-11/h1-4,6-8H,5,9-10H2
InChIKeyZNLOEFQSAKKFGT-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.54
Rot. Bonds2

About benzyl 2,3-dihydropyrrole-1-carboxylate

benzyl 2,3-dihydropyrrole-1-carboxylate (PubChem CID 11074472) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is benzyl 2,3-dihydropyrrole-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2,3-dihydropyrrole-1-carboxylate
PubChem CID11074472
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Namebenzyl 2,3-dihydropyrrole-1-carboxylate
SMILESO=C(OCc1ccccc1)N1C=CCC1
InChIInChI=1S/C12H13NO2/c14-12(13-8-4-5-9-13)15-10-11-6-2-1-3-7-11/h1-4,6-8H,5,9-10H2
InChIKeyZNLOEFQSAKKFGT-UHFFFAOYSA-N
XLogP2.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of benzyl 2,3-dihydropyrrole-1-carboxylate?
The IUPAC name of benzyl 2,3-dihydropyrrole-1-carboxylate (CID 11074472) is benzyl 2,3-dihydropyrrole-1-carboxylate.
What is the SMILES notation for benzyl 2,3-dihydropyrrole-1-carboxylate?
The canonical SMILES for benzyl 2,3-dihydropyrrole-1-carboxylate is O=C(OCc1ccccc1)N1C=CCC1.
What is the InChIKey of benzyl 2,3-dihydropyrrole-1-carboxylate?
The InChIKey is ZNLOEFQSAKKFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c14-12(13-8-4-5-9-13)15-10-11-6-2-1-3-7-11/h1-4,6-8H,5,9-10H2.
What are the key properties of benzyl 2,3-dihydropyrrole-1-carboxylate?
benzyl 2,3-dihydropyrrole-1-carboxylate has a molecular weight of 203.24 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2,3-dihydropyrrole-1-carboxylate is sourced from PubChem (CID 11074472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).