1-(2-oxopyrrolidin-1-yl)-3,4-dihydronaphthalene-2-carbaldehyde

C15H15NO2 — CID 102088796

IUPAC1-(2-oxopyrrolidin-1-yl)-3,4-dihydronaphthalene-2-carbaldehyde
SMILESO=CC1=C(N2CCCC2=O)c2ccccc2CC1
InChIInChI=1S/C15H15NO2/c17-10-12-8-7-11-4-1-2-5-13(11)15(12)16-9-3-6-14(16)18/h1-2,4-5,10H,3,6-9H2
InChIKeyYTSGPMLQLRJAFJ-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.17
Rot. Bonds2

About 1-(2-oxopyrrolidin-1-yl)-3,4-dihydronaphthalene-2-carbaldehyde

1-(2-oxopyrrolidin-1-yl)-3,4-dihydronaphthalene-2-carbaldehyde (PubChem CID 102088796) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-(2-oxopyrrolidin-1-yl)-3,4-dihydronaphthalene-2-carbaldehyde.

Molecular Properties

Compound Name1-(2-oxopyrrolidin-1-yl)-3,4-dihydronaphthalene-2-carbaldehyde
PubChem CID102088796
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name1-(2-oxopyrrolidin-1-yl)-3,4-dihydronaphthalene-2-carbaldehyde
SMILESO=CC1=C(N2CCCC2=O)c2ccccc2CC1
InChIInChI=1S/C15H15NO2/c17-10-12-8-7-11-4-1-2-5-13(11)15(12)16-9-3-6-14(16)18/h1-2,4-5,10H,3,6-9H2
InChIKeyYTSGPMLQLRJAFJ-UHFFFAOYSA-N
XLogP2.17
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3,4,5,6-tetrahydrobenzo[h]quinolin-2-one
CID 24974677
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
methyl 4-oxo-2,3,6,7-tetrahydrobenzo[a]quinolizine-1-carboxylate
CID 10825029
1-thiophen-2-yl-3,4-dihydronaphthalene-2-carbaldehyde
CID 11172512
1-(2-hydroxyphenyl)pyrrolidin-2-one
CID 695303
3-fluoro-4-(2-oxopyrrolidin-1-yl)benzaldehyde
CID 4165533
1-[2,5-bis(2-tert-butylphenyl)-4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 172517282
2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)isoindole-1,3-dione
CID 11098803
1-(2H-chromen-4-yl)pyrrolidin-2-one
CID 19937601
6-methoxy-1-pyrrol-1-yl-3,4-dihydronaphthalene-2-carbaldehyde
CID 102088801
tetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,16,18-nonaene
CID 12568460
9,10-dihydrophenanthrene;methane
CID 174728506

Frequently Asked Questions

What is the IUPAC name of 1-(2-oxopyrrolidin-1-yl)-3,4-dihydronaphthalene-2-carbaldehyde?
The IUPAC name of 1-(2-oxopyrrolidin-1-yl)-3,4-dihydronaphthalene-2-carbaldehyde (CID 102088796) is 1-(2-oxopyrrolidin-1-yl)-3,4-dihydronaphthalene-2-carbaldehyde.
What is the SMILES notation for 1-(2-oxopyrrolidin-1-yl)-3,4-dihydronaphthalene-2-carbaldehyde?
The canonical SMILES for 1-(2-oxopyrrolidin-1-yl)-3,4-dihydronaphthalene-2-carbaldehyde is O=CC1=C(N2CCCC2=O)c2ccccc2CC1.
What is the InChIKey of 1-(2-oxopyrrolidin-1-yl)-3,4-dihydronaphthalene-2-carbaldehyde?
The InChIKey is YTSGPMLQLRJAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c17-10-12-8-7-11-4-1-2-5-13(11)15(12)16-9-3-6-14(16)18/h1-2,4-5,10H,3,6-9H2.
What are the key properties of 1-(2-oxopyrrolidin-1-yl)-3,4-dihydronaphthalene-2-carbaldehyde?
1-(2-oxopyrrolidin-1-yl)-3,4-dihydronaphthalene-2-carbaldehyde has a molecular weight of 241.29 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxopyrrolidin-1-yl)-3,4-dihydronaphthalene-2-carbaldehyde is sourced from PubChem (CID 102088796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).