3-methoxypropyl 2,3-dihydro-1H-indole-3-carboxylate

C13H17NO3 — CID 80565901

IUPAC3-methoxypropyl 2,3-dihydro-1H-indole-3-carboxylate
SMILESCOCCCOC(=O)C1CNc2ccccc21
InChIInChI=1S/C13H17NO3/c1-16-7-4-8-17-13(15)11-9-14-12-6-3-2-5-10(11)12/h2-3,5-6,11,14H,4,7-9H2,1H3
InChIKeyYSSLVNHTHCLRBU-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.78
Rot. Bonds5

About 3-methoxypropyl 2,3-dihydro-1H-indole-3-carboxylate

3-methoxypropyl 2,3-dihydro-1H-indole-3-carboxylate (PubChem CID 80565901) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 3-methoxypropyl 2,3-dihydro-1H-indole-3-carboxylate.

Molecular Properties

Compound Name3-methoxypropyl 2,3-dihydro-1H-indole-3-carboxylate
PubChem CID80565901
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name3-methoxypropyl 2,3-dihydro-1H-indole-3-carboxylate
SMILESCOCCCOC(=O)C1CNc2ccccc21
InChIInChI=1S/C13H17NO3/c1-16-7-4-8-17-13(15)11-9-14-12-6-3-2-5-10(11)12/h2-3,5-6,11,14H,4,7-9H2,1H3
InChIKeyYSSLVNHTHCLRBU-UHFFFAOYSA-N
XLogP1.78
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

pentyl 2,3-dihydro-1H-indole-3-carboxylate
CID 80566075
2-(3-methoxypropoxy)ethyl 1,2,3,4-tetrahydroquinoline-4-carboxylate
CID 103178424
ethyl (3S)-2,3-dihydro-1H-indole-3-carboxylate;hydrochloride
CID 172907953
methyl 2,3-dihydro-1H-indole-3-carboxylate
CID 45073772
3-(2-methoxyethoxy)propyl 2-(2,3-dihydro-1H-indol-3-yl)acetate
CID 103403310
2-[2,3-dihydro-1H-indole-3-carbonyl(2-methoxyethyl)amino]acetic acid
CID 80567157
thiophen-2-ylmethyl 2,3-dihydro-1H-indole-3-carboxylate
CID 80565822
3-methylbutan-2-yl 2,3-dihydro-1H-indole-3-carboxylate
CID 80565850
N-(1-methoxybutan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80567149
methyl (2S)-2-(2,3-dihydro-1H-indole-3-carbonylamino)propanoate
CID 80565260
2,3-dihydro-1H-indol-3-yl-(3,5-dimethoxyphenyl)methanone
CID 116594626
2-cyclobutylethyl 1,2,3,4-tetrahydroquinoline-4-carboxylate
CID 106202949

Frequently Asked Questions

What is the IUPAC name of 3-methoxypropyl 2,3-dihydro-1H-indole-3-carboxylate?
The IUPAC name of 3-methoxypropyl 2,3-dihydro-1H-indole-3-carboxylate (CID 80565901) is 3-methoxypropyl 2,3-dihydro-1H-indole-3-carboxylate.
What is the SMILES notation for 3-methoxypropyl 2,3-dihydro-1H-indole-3-carboxylate?
The canonical SMILES for 3-methoxypropyl 2,3-dihydro-1H-indole-3-carboxylate is COCCCOC(=O)C1CNc2ccccc21.
What is the InChIKey of 3-methoxypropyl 2,3-dihydro-1H-indole-3-carboxylate?
The InChIKey is YSSLVNHTHCLRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-16-7-4-8-17-13(15)11-9-14-12-6-3-2-5-10(11)12/h2-3,5-6,11,14H,4,7-9H2,1H3.
What are the key properties of 3-methoxypropyl 2,3-dihydro-1H-indole-3-carboxylate?
3-methoxypropyl 2,3-dihydro-1H-indole-3-carboxylate has a molecular weight of 235.28 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxypropyl 2,3-dihydro-1H-indole-3-carboxylate is sourced from PubChem (CID 80565901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).