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

C14H19NO2 — CID 80566075

IUPACpentyl 2,3-dihydro-1H-indole-3-carboxylate
SMILESCCCCCOC(=O)C1CNc2ccccc21
InChIInChI=1S/C14H19NO2/c1-2-3-6-9-17-14(16)12-10-15-13-8-5-4-7-11(12)13/h4-5,7-8,12,15H,2-3,6,9-10H2,1H3
InChIKeyGUWBBQZZYRHRET-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.93
Rot. Bonds5

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

pentyl 2,3-dihydro-1H-indole-3-carboxylate (PubChem CID 80566075) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is pentyl 2,3-dihydro-1H-indole-3-carboxylate.

Molecular Properties

Compound Namepentyl 2,3-dihydro-1H-indole-3-carboxylate
PubChem CID80566075
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Namepentyl 2,3-dihydro-1H-indole-3-carboxylate
SMILESCCCCCOC(=O)C1CNc2ccccc21
InChIInChI=1S/C14H19NO2/c1-2-3-6-9-17-14(16)12-10-15-13-8-5-4-7-11(12)13/h4-5,7-8,12,15H,2-3,6,9-10H2,1H3
InChIKeyGUWBBQZZYRHRET-UHFFFAOYSA-N
XLogP2.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methoxypropyl 2,3-dihydro-1H-indole-3-carboxylate
CID 80565901
ethyl (3S)-2,3-dihydro-1H-indole-3-carboxylate;hydrochloride
CID 172907953
methyl 2,3-dihydro-1H-indole-3-carboxylate
CID 45073772
octacosyl 1,2,3,4-tetrahydroquinoline-3-carboxylate
CID 11599455
N-hexyl-2,3-dihydro-1H-indole-3-carboxamide
CID 80565289
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-butan-2-yl-N-butyl-2,3-dihydro-1H-indole-3-carboxamide
CID 80565497
N-octan-4-yl-2,3-dihydro-1H-indole-3-carboxamide
CID 106025969
propyl 2-(2,3-dihydro-1H-indol-3-yl)acetate
CID 79600080
butyl 2,3-dihydro-1-benzofuran-3-carboxylate
CID 78960804
2-(3-methoxypropoxy)ethyl 1,2,3,4-tetrahydroquinoline-4-carboxylate
CID 103178424

Frequently Asked Questions

What is the IUPAC name of pentyl 2,3-dihydro-1H-indole-3-carboxylate?
The IUPAC name of pentyl 2,3-dihydro-1H-indole-3-carboxylate (CID 80566075) is pentyl 2,3-dihydro-1H-indole-3-carboxylate.
What is the SMILES notation for pentyl 2,3-dihydro-1H-indole-3-carboxylate?
The canonical SMILES for pentyl 2,3-dihydro-1H-indole-3-carboxylate is CCCCCOC(=O)C1CNc2ccccc21.
What is the InChIKey of pentyl 2,3-dihydro-1H-indole-3-carboxylate?
The InChIKey is GUWBBQZZYRHRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-2-3-6-9-17-14(16)12-10-15-13-8-5-4-7-11(12)13/h4-5,7-8,12,15H,2-3,6,9-10H2,1H3.
What are the key properties of pentyl 2,3-dihydro-1H-indole-3-carboxylate?
pentyl 2,3-dihydro-1H-indole-3-carboxylate has a molecular weight of 233.31 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl 2,3-dihydro-1H-indole-3-carboxylate is sourced from PubChem (CID 80566075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).