2,3-dihydro-1H-inden-2-yl N-hexylcarbamate

C16H23NO2 — CID 21259488

IUPAC2,3-dihydro-1H-inden-2-yl N-hexylcarbamate
SMILESCCCCCCNC(=O)OC1Cc2ccccc2C1
InChIInChI=1S/C16H23NO2/c1-2-3-4-7-10-17-16(18)19-15-11-13-8-5-6-9-14(13)12-15/h5-6,8-9,15H,2-4,7,10-12H2,1H3,(H,17,18)
InChIKeyZAUKLPXOMJESOK-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.46
Rot. Bonds6

About 2,3-dihydro-1H-inden-2-yl N-hexylcarbamate

2,3-dihydro-1H-inden-2-yl N-hexylcarbamate (PubChem CID 21259488) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-2-yl N-hexylcarbamate.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-2-yl N-hexylcarbamate
PubChem CID21259488
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name2,3-dihydro-1H-inden-2-yl N-hexylcarbamate
SMILESCCCCCCNC(=O)OC1Cc2ccccc2C1
InChIInChI=1S/C16H23NO2/c1-2-3-4-7-10-17-16(18)19-15-11-13-8-5-6-9-14(13)12-15/h5-6,8-9,15H,2-4,7,10-12H2,1H3,(H,17,18)
InChIKeyZAUKLPXOMJESOK-UHFFFAOYSA-N
XLogP3.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-2-yl N-hexylcarbamate?
The IUPAC name of 2,3-dihydro-1H-inden-2-yl N-hexylcarbamate (CID 21259488) is 2,3-dihydro-1H-inden-2-yl N-hexylcarbamate.
What is the SMILES notation for 2,3-dihydro-1H-inden-2-yl N-hexylcarbamate?
The canonical SMILES for 2,3-dihydro-1H-inden-2-yl N-hexylcarbamate is CCCCCCNC(=O)OC1Cc2ccccc2C1.
What is the InChIKey of 2,3-dihydro-1H-inden-2-yl N-hexylcarbamate?
The InChIKey is ZAUKLPXOMJESOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-2-3-4-7-10-17-16(18)19-15-11-13-8-5-6-9-14(13)12-15/h5-6,8-9,15H,2-4,7,10-12H2,1H3,(H,17,18).
What are the key properties of 2,3-dihydro-1H-inden-2-yl N-hexylcarbamate?
2,3-dihydro-1H-inden-2-yl N-hexylcarbamate has a molecular weight of 261.36 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-2-yl N-hexylcarbamate is sourced from PubChem (CID 21259488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).