[3-(dimethylamino)-2,3-dihydro-1H-inden-5-yl] N,N-dimethylcarbamate

C14H20N2O2 — CID 11033414

IUPAC[3-(dimethylamino)-2,3-dihydro-1H-inden-5-yl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1ccc2c(c1)C(N(C)C)CC2
InChIInChI=1S/C14H20N2O2/c1-15(2)13-8-6-10-5-7-11(9-12(10)13)18-14(17)16(3)4/h5,7,9,13H,6,8H2,1-4H3
InChIKeyZMBDILYCKABPBU-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.30
Rot. Bonds2

About [3-(dimethylamino)-2,3-dihydro-1H-inden-5-yl] N,N-dimethylcarbamate

[3-(dimethylamino)-2,3-dihydro-1H-inden-5-yl] N,N-dimethylcarbamate (PubChem CID 11033414) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is [3-(dimethylamino)-2,3-dihydro-1H-inden-5-yl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[3-(dimethylamino)-2,3-dihydro-1H-inden-5-yl] N,N-dimethylcarbamate
PubChem CID11033414
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name[3-(dimethylamino)-2,3-dihydro-1H-inden-5-yl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1ccc2c(c1)C(N(C)C)CC2
InChIInChI=1S/C14H20N2O2/c1-15(2)13-8-6-10-5-7-11(9-12(10)13)18-14(17)16(3)4/h5,7,9,13H,6,8H2,1-4H3
InChIKeyZMBDILYCKABPBU-UHFFFAOYSA-N
XLogP2.30
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)-2,3-dihydro-1H-inden-5-yl] N,N-dimethylcarbamate?
The IUPAC name of [3-(dimethylamino)-2,3-dihydro-1H-inden-5-yl] N,N-dimethylcarbamate (CID 11033414) is [3-(dimethylamino)-2,3-dihydro-1H-inden-5-yl] N,N-dimethylcarbamate.
What is the SMILES notation for [3-(dimethylamino)-2,3-dihydro-1H-inden-5-yl] N,N-dimethylcarbamate?
The canonical SMILES for [3-(dimethylamino)-2,3-dihydro-1H-inden-5-yl] N,N-dimethylcarbamate is CN(C)C(=O)Oc1ccc2c(c1)C(N(C)C)CC2.
What is the InChIKey of [3-(dimethylamino)-2,3-dihydro-1H-inden-5-yl] N,N-dimethylcarbamate?
The InChIKey is ZMBDILYCKABPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-15(2)13-8-6-10-5-7-11(9-12(10)13)18-14(17)16(3)4/h5,7,9,13H,6,8H2,1-4H3.
What are the key properties of [3-(dimethylamino)-2,3-dihydro-1H-inden-5-yl] N,N-dimethylcarbamate?
[3-(dimethylamino)-2,3-dihydro-1H-inden-5-yl] N,N-dimethylcarbamate has a molecular weight of 248.33 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)-2,3-dihydro-1H-inden-5-yl] N,N-dimethylcarbamate is sourced from PubChem (CID 11033414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).