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

C15H21NO2 — CID 21259242

IUPAC2,3-dihydro-1H-inden-2-yl N-pentylcarbamate
SMILESCCCCCNC(=O)OC1Cc2ccccc2C1
InChIInChI=1S/C15H21NO2/c1-2-3-6-9-16-15(17)18-14-10-12-7-4-5-8-13(12)11-14/h4-5,7-8,14H,2-3,6,9-11H2,1H3,(H,16,17)
InChIKeyOYOXDWRTDJZLMW-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.07
Rot. Bonds5

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

2,3-dihydro-1H-inden-2-yl N-pentylcarbamate (PubChem CID 21259242) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-2-yl N-pentylcarbamate.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-2-yl N-pentylcarbamate
PubChem CID21259242
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2,3-dihydro-1H-inden-2-yl N-pentylcarbamate
SMILESCCCCCNC(=O)OC1Cc2ccccc2C1
InChIInChI=1S/C15H21NO2/c1-2-3-6-9-16-15(17)18-14-10-12-7-4-5-8-13(12)11-14/h4-5,7-8,14H,2-3,6,9-11H2,1H3,(H,16,17)
InChIKeyOYOXDWRTDJZLMW-UHFFFAOYSA-N
XLogP3.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.07
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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Related Compounds

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2-Oxazolidinone, 5-((2-(trifluoromethyl)phenyl)methyl)-
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Carbamic acid, N-2-propen-1-yl-, 9H-fluoren-9-ylmethyl ester
CID 75176269
(9H-Fluoren-9-yl)methyl (4-aminobutyl)carbamate--hydrogen bromide (1/1)
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(9H-Fluoren-9-yl)methyl (6-aminohexyl)carbamate--hydrogen bromide (1/1)
CID 16213180
(9H-Fluoren-9-yl)methyl (5-aminopentyl)carbamate--hydrogen bromide (1/1)
CID 16213181
(9H-fluoren-9-yl)methyl N-(4-aminobutyl)carbamate hydrochloride
CID 56777061
9H-fluoren-9-ylmethyl N-[(3-aminocyclobutyl)methyl]carbamate
CID 177799389
(9H-Fluoren-9-yl)methyl (3-aminopropyl)carbamate
CID 2794280
(9H-Fluoren-9-yl)methyl (2-oxopropyl)carbamate
CID 23532546

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-2-yl N-pentylcarbamate?
The IUPAC name of 2,3-dihydro-1H-inden-2-yl N-pentylcarbamate (CID 21259242) is 2,3-dihydro-1H-inden-2-yl N-pentylcarbamate.
What is the SMILES notation for 2,3-dihydro-1H-inden-2-yl N-pentylcarbamate?
The canonical SMILES for 2,3-dihydro-1H-inden-2-yl N-pentylcarbamate is CCCCCNC(=O)OC1Cc2ccccc2C1.
What is the InChIKey of 2,3-dihydro-1H-inden-2-yl N-pentylcarbamate?
The InChIKey is OYOXDWRTDJZLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-2-3-6-9-16-15(17)18-14-10-12-7-4-5-8-13(12)11-14/h4-5,7-8,14H,2-3,6,9-11H2,1H3,(H,16,17).
What are the key properties of 2,3-dihydro-1H-inden-2-yl N-pentylcarbamate?
2,3-dihydro-1H-inden-2-yl N-pentylcarbamate has a molecular weight of 247.34 g/mol, XLogP of 3.07, 5 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-pentylcarbamate is sourced from PubChem (CID 21259242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).