[(3S)-3-[(2S)-2-naphthalen-1-ylpropyl]pyrrolidin-1-yl]methyl formate

C19H23NO2 — CID 149165816

IUPAC[(3S)-3-[(2S)-2-naphthalen-1-ylpropyl]pyrrolidin-1-yl]methyl formate
SMILESC[C@@H](C[C@H]1CCN(COC=O)C1)c1cccc2ccccc12
InChIInChI=1S/C19H23NO2/c1-15(11-16-9-10-20(12-16)13-22-14-21)18-8-4-6-17-5-2-3-7-19(17)18/h2-8,14-16H,9-13H2,1H3/t15-,16+/m0/s1
InChIKeyWYBUKODIRMMWQC-JKSUJKDBSA-N
MW297.40 g/mol
LogP3.79
Rot. Bonds6

About [(3S)-3-[(2S)-2-naphthalen-1-ylpropyl]pyrrolidin-1-yl]methyl formate

[(3S)-3-[(2S)-2-naphthalen-1-ylpropyl]pyrrolidin-1-yl]methyl formate (PubChem CID 149165816) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is [(3S)-3-[(2S)-2-naphthalen-1-ylpropyl]pyrrolidin-1-yl]methyl formate.

Molecular Properties

Compound Name[(3S)-3-[(2S)-2-naphthalen-1-ylpropyl]pyrrolidin-1-yl]methyl formate
PubChem CID149165816
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name[(3S)-3-[(2S)-2-naphthalen-1-ylpropyl]pyrrolidin-1-yl]methyl formate
SMILESC[C@@H](C[C@H]1CCN(COC=O)C1)c1cccc2ccccc12
InChIInChI=1S/C19H23NO2/c1-15(11-16-9-10-20(12-16)13-22-14-21)18-8-4-6-17-5-2-3-7-19(17)18/h2-8,14-16H,9-13H2,1H3/t15-,16+/m0/s1
InChIKeyWYBUKODIRMMWQC-JKSUJKDBSA-N
XLogP3.79
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzyl (3S)-3-[(2S)-2-naphthalen-1-ylpropyl]piperidine-1-carboxylate
CID 58422854
5-[(3S)-3-[(2S)-2-naphthalen-1-ylpropyl]pyrrolidin-1-yl]-2-trityltetrazole
CID 157304467
bis(carbon dioxide);(3S)-1-(4-methylphenyl)-3-[(2S)-2-naphthalen-1-ylpropyl]pyrrolidine;(3S)-3-[(2S)-2-naphthalen-1-ylpropyl]-1-(4-propylphenyl)pyrrolidine;hydrochloride
CID 159846637
(4S)-4-naphthalen-1-ylpentanal
CID 10774914
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(1-naphthalen-1-ylethyl)acetamide
CID 111442554
carbon dioxide;1-[(2S)-1-[(1R,3R)-3-(4-ethylphenyl)cyclopentyl]propan-2-yl]naphthalene
CID 158857640
2-bromopyrimidine;methane;(3S)-3-[(2S)-2-naphthalen-1-ylpropyl]pyrrolidine;2-[(3S)-3-[(2S)-2-naphthalen-1-ylpropyl]pyrrolidin-1-yl]pyrimidine
CID 161014691
(1R)-N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]-1-naphthalen-1-ylethanamine;(E)-but-2-enedioic acid
CID 68910564
2-chloro-3-[(3R)-3-[(2S)-2-naphthalen-1-ylpropyl]pyrrolidin-1-yl]pyrazine;2,3-dichloropyrazine;methane;(3R)-3-[(2S)-2-naphthalen-1-ylpropyl]pyrrolidine
CID 161071277
2-methyl-2-[4-[3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenoxy]propanoic acid
CID 161070660
1-(2-naphthalen-1-ylpropyl)piperazine
CID 116964774
2-(cyclopropylmethylamino)-N-(1-naphthalen-1-ylethyl)acetamide;hydrochloride
CID 119687005

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[(2S)-2-naphthalen-1-ylpropyl]pyrrolidin-1-yl]methyl formate?
The IUPAC name of [(3S)-3-[(2S)-2-naphthalen-1-ylpropyl]pyrrolidin-1-yl]methyl formate (CID 149165816) is [(3S)-3-[(2S)-2-naphthalen-1-ylpropyl]pyrrolidin-1-yl]methyl formate.
What is the SMILES notation for [(3S)-3-[(2S)-2-naphthalen-1-ylpropyl]pyrrolidin-1-yl]methyl formate?
The canonical SMILES for [(3S)-3-[(2S)-2-naphthalen-1-ylpropyl]pyrrolidin-1-yl]methyl formate is C[C@@H](C[C@H]1CCN(COC=O)C1)c1cccc2ccccc12.
What is the InChIKey of [(3S)-3-[(2S)-2-naphthalen-1-ylpropyl]pyrrolidin-1-yl]methyl formate?
The InChIKey is WYBUKODIRMMWQC-JKSUJKDBSA-N. The full InChI is InChI=1S/C19H23NO2/c1-15(11-16-9-10-20(12-16)13-22-14-21)18-8-4-6-17-5-2-3-7-19(17)18/h2-8,14-16H,9-13H2,1H3/t15-,16+/m0/s1.
What are the key properties of [(3S)-3-[(2S)-2-naphthalen-1-ylpropyl]pyrrolidin-1-yl]methyl formate?
[(3S)-3-[(2S)-2-naphthalen-1-ylpropyl]pyrrolidin-1-yl]methyl formate has a molecular weight of 297.40 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[(2S)-2-naphthalen-1-ylpropyl]pyrrolidin-1-yl]methyl formate is sourced from PubChem (CID 149165816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).