methyl 1-formyl-2,3-dihydro-1H-indene-5-carboxylate

C12H12O3 — CID 86071683

IUPACmethyl 1-formyl-2,3-dihydro-1H-indene-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CCC2C=O
InChIInChI=1S/C12H12O3/c1-15-12(14)9-4-5-11-8(6-9)2-3-10(11)7-13/h4-7,10H,2-3H2,1H3
InChIKeyGTUGLZHWDPSYCM-UHFFFAOYSA-N
MW204.22 g/mol
LogP1.70
Rot. Bonds2

About methyl 1-formyl-2,3-dihydro-1H-indene-5-carboxylate

methyl 1-formyl-2,3-dihydro-1H-indene-5-carboxylate (PubChem CID 86071683) has the molecular formula C12H12O3 and a molecular weight of 204.22 g/mol. Its IUPAC name is methyl 1-formyl-2,3-dihydro-1H-indene-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-formyl-2,3-dihydro-1H-indene-5-carboxylate
PubChem CID86071683
Molecular FormulaC12H12O3
Molecular Weight204.22 g/mol
Exact Mass204.08
IUPAC Namemethyl 1-formyl-2,3-dihydro-1H-indene-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CCC2C=O
InChIInChI=1S/C12H12O3/c1-15-12(14)9-4-5-11-8(6-9)2-3-10(11)7-13/h4-7,10H,2-3H2,1H3
InChIKeyGTUGLZHWDPSYCM-UHFFFAOYSA-N
XLogP1.70
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 51.70
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

ethyl 5-formyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 21289481
(6-methoxycarbonyl-1,2,3,4-tetrahydronaphthalen-1-yl)azanium
CID 163859823
methyl (3R)-3-hydroxy-2,3-dihydro-1H-indene-5-carboxylate
CID 155905494
methyl 3-(methylamino)-2,3-dihydro-1H-indene-5-carboxylate
CID 59505320
6-methoxycarbonyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 71383857
6-[[(1S)-5-methoxycarbonyl-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrimidine-4-carboxylic acid;6-methoxycarbonylpyrimidine-4-carboxylic acid;methyl 6-[[(1S)-5-methoxycarbonyl-2,3-dihydro-1H-inden-1-yl]carbamoyl]pyrimidine-4-carboxylate
CID 157286195
trimethyl pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaene-4,11,17-tricarboxylate
CID 126722610
methyl 6-(methylaminomethyl)-5-phenyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride
CID 18477138
methyl (3R)-3-(propan-2-ylamino)-2,3-dihydro-1H-indene-5-carboxylate
CID 66805276
methyl 6-(3,5-dimethylcyclohexyl)oxy-5-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 159287478
methyl 6-heptyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 58719130
methyl 3-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzoate
CID 107681939

Frequently Asked Questions

What is the IUPAC name of methyl 1-formyl-2,3-dihydro-1H-indene-5-carboxylate?
The IUPAC name of methyl 1-formyl-2,3-dihydro-1H-indene-5-carboxylate (CID 86071683) is methyl 1-formyl-2,3-dihydro-1H-indene-5-carboxylate.
What is the SMILES notation for methyl 1-formyl-2,3-dihydro-1H-indene-5-carboxylate?
The canonical SMILES for methyl 1-formyl-2,3-dihydro-1H-indene-5-carboxylate is COC(=O)c1ccc2c(c1)CCC2C=O.
What is the InChIKey of methyl 1-formyl-2,3-dihydro-1H-indene-5-carboxylate?
The InChIKey is GTUGLZHWDPSYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O3/c1-15-12(14)9-4-5-11-8(6-9)2-3-10(11)7-13/h4-7,10H,2-3H2,1H3.
What are the key properties of methyl 1-formyl-2,3-dihydro-1H-indene-5-carboxylate?
methyl 1-formyl-2,3-dihydro-1H-indene-5-carboxylate has a molecular weight of 204.22 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-formyl-2,3-dihydro-1H-indene-5-carboxylate is sourced from PubChem (CID 86071683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).