(3-hydroxy-3H-inden-1-yl) N-cyclohexyl-N-methylcarbamate

C17H21NO3 — CID 67985719

IUPAC(3-hydroxy-3H-inden-1-yl) N-cyclohexyl-N-methylcarbamate
SMILESCN(C(=O)OC1=CC(O)c2ccccc21)C1CCCCC1
InChIInChI=1S/C17H21NO3/c1-18(12-7-3-2-4-8-12)17(20)21-16-11-15(19)13-9-5-6-10-14(13)16/h5-6,9-12,15,19H,2-4,7-8H2,1H3
InChIKeyRZSBDFOEJGAMNG-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.48
Rot. Bonds2

About (3-hydroxy-3H-inden-1-yl) N-cyclohexyl-N-methylcarbamate

(3-hydroxy-3H-inden-1-yl) N-cyclohexyl-N-methylcarbamate (PubChem CID 67985719) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is (3-hydroxy-3H-inden-1-yl) N-cyclohexyl-N-methylcarbamate.

Molecular Properties

Compound Name(3-hydroxy-3H-inden-1-yl) N-cyclohexyl-N-methylcarbamate
PubChem CID67985719
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name(3-hydroxy-3H-inden-1-yl) N-cyclohexyl-N-methylcarbamate
SMILESCN(C(=O)OC1=CC(O)c2ccccc21)C1CCCCC1
InChIInChI=1S/C17H21NO3/c1-18(12-7-3-2-4-8-12)17(20)21-16-11-15(19)13-9-5-6-10-14(13)16/h5-6,9-12,15,19H,2-4,7-8H2,1H3
InChIKeyRZSBDFOEJGAMNG-UHFFFAOYSA-N
XLogP3.48
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-3H-inden-1-yl) N-cyclohexyl-N-methylcarbamate?
The IUPAC name of (3-hydroxy-3H-inden-1-yl) N-cyclohexyl-N-methylcarbamate (CID 67985719) is (3-hydroxy-3H-inden-1-yl) N-cyclohexyl-N-methylcarbamate.
What is the SMILES notation for (3-hydroxy-3H-inden-1-yl) N-cyclohexyl-N-methylcarbamate?
The canonical SMILES for (3-hydroxy-3H-inden-1-yl) N-cyclohexyl-N-methylcarbamate is CN(C(=O)OC1=CC(O)c2ccccc21)C1CCCCC1.
What is the InChIKey of (3-hydroxy-3H-inden-1-yl) N-cyclohexyl-N-methylcarbamate?
The InChIKey is RZSBDFOEJGAMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-18(12-7-3-2-4-8-12)17(20)21-16-11-15(19)13-9-5-6-10-14(13)16/h5-6,9-12,15,19H,2-4,7-8H2,1H3.
What are the key properties of (3-hydroxy-3H-inden-1-yl) N-cyclohexyl-N-methylcarbamate?
(3-hydroxy-3H-inden-1-yl) N-cyclohexyl-N-methylcarbamate has a molecular weight of 287.36 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-3H-inden-1-yl) N-cyclohexyl-N-methylcarbamate is sourced from PubChem (CID 67985719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).