[1-(prop-2-ynylamino)-2,3-dihydro-1H-inden-4-yl] N-ethyl-N-methylcarbamate

C16H20N2O2 — CID 11012293

IUPAC[1-(prop-2-ynylamino)-2,3-dihydro-1H-inden-4-yl] N-ethyl-N-methylcarbamate
SMILESC#CCNC1CCc2c(OC(=O)N(C)CC)cccc21
InChIInChI=1S/C16H20N2O2/c1-4-11-17-14-10-9-13-12(14)7-6-8-15(13)20-16(19)18(3)5-2/h1,6-8,14,17H,5,9-11H2,2-3H3
InChIKeyCAFPZIPDWWVNRP-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.35
Rot. Bonds4

About [1-(prop-2-ynylamino)-2,3-dihydro-1H-inden-4-yl] N-ethyl-N-methylcarbamate

[1-(prop-2-ynylamino)-2,3-dihydro-1H-inden-4-yl] N-ethyl-N-methylcarbamate (PubChem CID 11012293) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is [1-(prop-2-ynylamino)-2,3-dihydro-1H-inden-4-yl] N-ethyl-N-methylcarbamate.

Molecular Properties

Compound Name[1-(prop-2-ynylamino)-2,3-dihydro-1H-inden-4-yl] N-ethyl-N-methylcarbamate
PubChem CID11012293
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name[1-(prop-2-ynylamino)-2,3-dihydro-1H-inden-4-yl] N-ethyl-N-methylcarbamate
SMILESC#CCNC1CCc2c(OC(=O)N(C)CC)cccc21
InChIInChI=1S/C16H20N2O2/c1-4-11-17-14-10-9-13-12(14)7-6-8-15(13)20-16(19)18(3)5-2/h1,6-8,14,17H,5,9-11H2,2-3H3
InChIKeyCAFPZIPDWWVNRP-UHFFFAOYSA-N
XLogP2.35
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(prop-2-ynylamino)-2,3-dihydro-1H-inden-4-yl] N-ethyl-N-methylcarbamate?
The IUPAC name of [1-(prop-2-ynylamino)-2,3-dihydro-1H-inden-4-yl] N-ethyl-N-methylcarbamate (CID 11012293) is [1-(prop-2-ynylamino)-2,3-dihydro-1H-inden-4-yl] N-ethyl-N-methylcarbamate.
What is the SMILES notation for [1-(prop-2-ynylamino)-2,3-dihydro-1H-inden-4-yl] N-ethyl-N-methylcarbamate?
The canonical SMILES for [1-(prop-2-ynylamino)-2,3-dihydro-1H-inden-4-yl] N-ethyl-N-methylcarbamate is C#CCNC1CCc2c(OC(=O)N(C)CC)cccc21.
What is the InChIKey of [1-(prop-2-ynylamino)-2,3-dihydro-1H-inden-4-yl] N-ethyl-N-methylcarbamate?
The InChIKey is CAFPZIPDWWVNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-4-11-17-14-10-9-13-12(14)7-6-8-15(13)20-16(19)18(3)5-2/h1,6-8,14,17H,5,9-11H2,2-3H3.
What are the key properties of [1-(prop-2-ynylamino)-2,3-dihydro-1H-inden-4-yl] N-ethyl-N-methylcarbamate?
[1-(prop-2-ynylamino)-2,3-dihydro-1H-inden-4-yl] N-ethyl-N-methylcarbamate has a molecular weight of 272.35 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(prop-2-ynylamino)-2,3-dihydro-1H-inden-4-yl] N-ethyl-N-methylcarbamate is sourced from PubChem (CID 11012293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).