phenyl 3-methylidenepyrrolidine-1-carboxylate

C12H13NO2 — CID 141203105

IUPACphenyl 3-methylidenepyrrolidine-1-carboxylate
SMILESC=C1CCN(C(=O)Oc2ccccc2)C1
InChIInChI=1S/C12H13NO2/c1-10-7-8-13(9-10)12(14)15-11-5-3-2-4-6-11/h2-6H,1,7-9H2
InChIKeyJVZQCKWIXANSGI-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.45
Rot. Bonds1

About phenyl 3-methylidenepyrrolidine-1-carboxylate

phenyl 3-methylidenepyrrolidine-1-carboxylate (PubChem CID 141203105) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is phenyl 3-methylidenepyrrolidine-1-carboxylate.

Molecular Properties

Compound Namephenyl 3-methylidenepyrrolidine-1-carboxylate
PubChem CID141203105
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Namephenyl 3-methylidenepyrrolidine-1-carboxylate
SMILESC=C1CCN(C(=O)Oc2ccccc2)C1
InChIInChI=1S/C12H13NO2/c1-10-7-8-13(9-10)12(14)15-11-5-3-2-4-6-11/h2-6H,1,7-9H2
InChIKeyJVZQCKWIXANSGI-UHFFFAOYSA-N
XLogP2.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

phenyl 7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
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phenyl 6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
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(4-phenoxyphenyl) pyrrolidine-1-carboxylate
CID 54080617
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CID 61132871
phenyl 4-tert-butylpiperazine-1-carboxylate
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phenyl 4-propanoylpiperazine-1-carboxylate
CID 46228295
phenyl 4-phenoxypiperidine-1-carboxylate
CID 110396730
phenyl 4-(adamantane-1-carbonyl)piperazine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of phenyl 3-methylidenepyrrolidine-1-carboxylate?
The IUPAC name of phenyl 3-methylidenepyrrolidine-1-carboxylate (CID 141203105) is phenyl 3-methylidenepyrrolidine-1-carboxylate.
What is the SMILES notation for phenyl 3-methylidenepyrrolidine-1-carboxylate?
The canonical SMILES for phenyl 3-methylidenepyrrolidine-1-carboxylate is C=C1CCN(C(=O)Oc2ccccc2)C1.
What is the InChIKey of phenyl 3-methylidenepyrrolidine-1-carboxylate?
The InChIKey is JVZQCKWIXANSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-10-7-8-13(9-10)12(14)15-11-5-3-2-4-6-11/h2-6H,1,7-9H2.
What are the key properties of phenyl 3-methylidenepyrrolidine-1-carboxylate?
phenyl 3-methylidenepyrrolidine-1-carboxylate has a molecular weight of 203.24 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 3-methylidenepyrrolidine-1-carboxylate is sourced from PubChem (CID 141203105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).