5,6,7,8-tetrahydronaphthalen-1-yl pyrrolidine-2-carboxylate

C15H19NO2 — CID 82118328

IUPAC5,6,7,8-tetrahydronaphthalen-1-yl pyrrolidine-2-carboxylate
SMILESO=C(Oc1cccc2c1CCCC2)C1CCCN1
InChIInChI=1S/C15H19NO2/c17-15(13-8-4-10-16-13)18-14-9-3-6-11-5-1-2-7-12(11)14/h3,6,9,13,16H,1-2,4-5,7-8,10H2
InChIKeyZHHJTOHCLZBPFQ-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.22
Rot. Bonds2

About 5,6,7,8-tetrahydronaphthalen-1-yl pyrrolidine-2-carboxylate

5,6,7,8-tetrahydronaphthalen-1-yl pyrrolidine-2-carboxylate (PubChem CID 82118328) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 5,6,7,8-tetrahydronaphthalen-1-yl pyrrolidine-2-carboxylate.

Molecular Properties

Compound Name5,6,7,8-tetrahydronaphthalen-1-yl pyrrolidine-2-carboxylate
PubChem CID82118328
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name5,6,7,8-tetrahydronaphthalen-1-yl pyrrolidine-2-carboxylate
SMILESO=C(Oc1cccc2c1CCCC2)C1CCCN1
InChIInChI=1S/C15H19NO2/c17-15(13-8-4-10-16-13)18-14-9-3-6-11-5-1-2-7-12(11)14/h3,6,9,13,16H,1-2,4-5,7-8,10H2
InChIKeyZHHJTOHCLZBPFQ-UHFFFAOYSA-N
XLogP2.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-dihydro-1H-inden-4-yl morpholine-2-carboxylate
CID 70624241
(8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-pyrrolidin-2-ylmethanone
CID 110481278
5,6,7,8-tetrahydronaphthalen-1-yl 16-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylate
CID 176879726
(2-deuteriophenyl) (2S)-pyrrolidine-2-carboxylate
CID 91093438
(4-methylphenyl) pyrrolidine-2-carboxylate
CID 82112769
(3R)-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)piperidine
CID 26191291
5,6,7,8-tetrahydronaphthalen-1-yl 15,16-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylate
CID 176879398
(2,6-dimethoxyphenyl)-piperidin-2-ylmethanone
CID 116811452
(4-fluorophenyl)methyl (2S)-pyrrolidine-2-carboxylate
CID 94259086
[(2S)-pyrrolidine-2-carbonyl] (2S)-pyrrolidine-2-carboxylate
CID 57156307
(1-carbamoyl-3,4-dihydro-2H-naphthalen-1-yl) pyrrolidine-2-carboxylate
CID 91028074
(2,4-dinitrophenyl) (2S)-pyrrolidine-2-carboxylate
CID 15788336

Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydronaphthalen-1-yl pyrrolidine-2-carboxylate?
The IUPAC name of 5,6,7,8-tetrahydronaphthalen-1-yl pyrrolidine-2-carboxylate (CID 82118328) is 5,6,7,8-tetrahydronaphthalen-1-yl pyrrolidine-2-carboxylate.
What is the SMILES notation for 5,6,7,8-tetrahydronaphthalen-1-yl pyrrolidine-2-carboxylate?
The canonical SMILES for 5,6,7,8-tetrahydronaphthalen-1-yl pyrrolidine-2-carboxylate is O=C(Oc1cccc2c1CCCC2)C1CCCN1.
What is the InChIKey of 5,6,7,8-tetrahydronaphthalen-1-yl pyrrolidine-2-carboxylate?
The InChIKey is ZHHJTOHCLZBPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c17-15(13-8-4-10-16-13)18-14-9-3-6-11-5-1-2-7-12(11)14/h3,6,9,13,16H,1-2,4-5,7-8,10H2.
What are the key properties of 5,6,7,8-tetrahydronaphthalen-1-yl pyrrolidine-2-carboxylate?
5,6,7,8-tetrahydronaphthalen-1-yl pyrrolidine-2-carboxylate has a molecular weight of 245.32 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydronaphthalen-1-yl pyrrolidine-2-carboxylate is sourced from PubChem (CID 82118328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).