methyl 1'-formylspiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxylate

C16H19NO3 — CID 122619687

IUPACmethyl 1'-formylspiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CC1(CC2)CCN(C=O)C1
InChIInChI=1S/C16H19NO3/c1-20-15(19)13-3-2-12-4-5-16(9-14(12)8-13)6-7-17(10-16)11-18/h2-3,8,11H,4-7,9-10H2,1H3
InChIKeyYLHJVPYZWKTRSN-UHFFFAOYSA-N
MW273.33 g/mol
LogP1.81
Rot. Bonds2

About methyl 1'-formylspiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxylate

methyl 1'-formylspiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxylate (PubChem CID 122619687) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is methyl 1'-formylspiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxylate.

Molecular Properties

Compound Namemethyl 1'-formylspiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxylate
PubChem CID122619687
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Namemethyl 1'-formylspiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CC1(CC2)CCN(C=O)C1
InChIInChI=1S/C16H19NO3/c1-20-15(19)13-3-2-12-4-5-16(9-14(12)8-13)6-7-17(10-16)11-18/h2-3,8,11H,4-7,9-10H2,1H3
InChIKeyYLHJVPYZWKTRSN-UHFFFAOYSA-N
XLogP1.81
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 1'-formylspiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;methyl 3-methyl-1,2,4,5-tetrahydro-3-benzazepine-7-carboxylate
CID 91090693
2-hydroxy-1-[1'-(4-methylbenzoyl)spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-yl]ethanone;methyl 1'-(4-methylbenzoyl)spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxylate;methyl spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxylate
CID 159920115
ethane;N-hydroxy-1'-(4-methoxybenzoyl)spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide
CID 145171330
dimethyl 2-acetyl-1,3-dihydroindene-2,5-dicarboxylate
CID 10468672
methyl (7S)-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxylate
CID 122619725
methyl 2-(2-hydroxyethyl)-3,4-dihydro-1H-isoquinoline-7-carboxylate
CID 82582407
dimethyl 2-(cyanomethyl)-3,4-dihydro-1H-naphthalene-2,7-dicarboxylate
CID 122619562
methyl 1,2,3,4-tetrahydroisoquinoline-7-carboxylate
CID 10656920
(7-methoxycarbonyl-3,4-dihydro-1H-isoquinolin-2-yl)-methylborinic acid
CID 156679995
methyl 2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-6-carboxylate
CID 58959738
methyl (2S)-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate
CID 138742539
methyl 2-(2-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-7-carboxylate
CID 68508040

Frequently Asked Questions

What is the IUPAC name of methyl 1'-formylspiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxylate?
The IUPAC name of methyl 1'-formylspiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxylate (CID 122619687) is methyl 1'-formylspiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxylate.
What is the SMILES notation for methyl 1'-formylspiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxylate?
The canonical SMILES for methyl 1'-formylspiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxylate is COC(=O)c1ccc2c(c1)CC1(CC2)CCN(C=O)C1.
What is the InChIKey of methyl 1'-formylspiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxylate?
The InChIKey is YLHJVPYZWKTRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-20-15(19)13-3-2-12-4-5-16(9-14(12)8-13)6-7-17(10-16)11-18/h2-3,8,11H,4-7,9-10H2,1H3.
What are the key properties of methyl 1'-formylspiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxylate?
methyl 1'-formylspiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxylate has a molecular weight of 273.33 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1'-formylspiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxylate is sourced from PubChem (CID 122619687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).