methyl 7-(2-pyrrolidin-1-ylethyl)-5,6-dihydronaphthalene-2-carboxylate

C18H23NO2 — CID 22104515

IUPACmethyl 7-(2-pyrrolidin-1-ylethyl)-5,6-dihydronaphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C=C(CCN1CCCC1)CC2
InChIInChI=1S/C18H23NO2/c1-21-18(20)16-7-6-15-5-4-14(12-17(15)13-16)8-11-19-9-2-3-10-19/h6-7,12-13H,2-5,8-11H2,1H3
InChIKeyQZGNAPNVKDOCHX-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.29
Rot. Bonds4

About methyl 7-(2-pyrrolidin-1-ylethyl)-5,6-dihydronaphthalene-2-carboxylate

methyl 7-(2-pyrrolidin-1-ylethyl)-5,6-dihydronaphthalene-2-carboxylate (PubChem CID 22104515) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is methyl 7-(2-pyrrolidin-1-ylethyl)-5,6-dihydronaphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 7-(2-pyrrolidin-1-ylethyl)-5,6-dihydronaphthalene-2-carboxylate
PubChem CID22104515
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Namemethyl 7-(2-pyrrolidin-1-ylethyl)-5,6-dihydronaphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C=C(CCN1CCCC1)CC2
InChIInChI=1S/C18H23NO2/c1-21-18(20)16-7-6-15-5-4-14(12-17(15)13-16)8-11-19-9-2-3-10-19/h6-7,12-13H,2-5,8-11H2,1H3
InChIKeyQZGNAPNVKDOCHX-UHFFFAOYSA-N
XLogP3.29
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 7-methyl-5,6-dihydronaphthalene-2-carboxylate
CID 58055424
1-[2-(6,7-dimethyl-3,4-dihydronaphthalen-2-yl)ethyl]piperidine
CID 22104511
methyl 4-(3-pyrrolidin-1-ylpropyl)benzoate
CID 10658147
methyl 2-(2-hydroxyethyl)-3,4-dihydro-1H-isoquinoline-7-carboxylate
CID 82582407
ethane;methyl 3-methyl-1,2,4,5-tetrahydro-3-benzazepine-7-carboxylate
CID 91090693
methyl 6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxylate
CID 58933893
methyl 3-(2-pyrrolidin-1-ylethyl)imidazo[1,5-a]pyridine-7-carboxylate
CID 117145337
methyl 3-chloro-4-(pyrrolidin-1-ylmethyl)benzoate
CID 21182738
methyl 4-(azocan-1-ylmethyl)benzoate
CID 28829596
methyl 7-(2-acetamido-4-pyridinyl)-5,6-dihydronaphthalene-2-carboxylate
CID 58055614
methyl 1-ethyl-3,4-dihydro-2H-quinoline-7-carboxylate
CID 134691949
methyl 4-[1-oxo-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydroisoquinolin-6-yl]benzoate
CID 25217766

Frequently Asked Questions

What is the IUPAC name of methyl 7-(2-pyrrolidin-1-ylethyl)-5,6-dihydronaphthalene-2-carboxylate?
The IUPAC name of methyl 7-(2-pyrrolidin-1-ylethyl)-5,6-dihydronaphthalene-2-carboxylate (CID 22104515) is methyl 7-(2-pyrrolidin-1-ylethyl)-5,6-dihydronaphthalene-2-carboxylate.
What is the SMILES notation for methyl 7-(2-pyrrolidin-1-ylethyl)-5,6-dihydronaphthalene-2-carboxylate?
The canonical SMILES for methyl 7-(2-pyrrolidin-1-ylethyl)-5,6-dihydronaphthalene-2-carboxylate is COC(=O)c1ccc2c(c1)C=C(CCN1CCCC1)CC2.
What is the InChIKey of methyl 7-(2-pyrrolidin-1-ylethyl)-5,6-dihydronaphthalene-2-carboxylate?
The InChIKey is QZGNAPNVKDOCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-21-18(20)16-7-6-15-5-4-14(12-17(15)13-16)8-11-19-9-2-3-10-19/h6-7,12-13H,2-5,8-11H2,1H3.
What are the key properties of methyl 7-(2-pyrrolidin-1-ylethyl)-5,6-dihydronaphthalene-2-carboxylate?
methyl 7-(2-pyrrolidin-1-ylethyl)-5,6-dihydronaphthalene-2-carboxylate has a molecular weight of 285.39 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-(2-pyrrolidin-1-ylethyl)-5,6-dihydronaphthalene-2-carboxylate is sourced from PubChem (CID 22104515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).