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

C15H18N2O2 — CID 15908437

IUPAC[3-(prop-2-ynylamino)-2,3-dihydro-1H-inden-5-yl] N,N-dimethylcarbamate
SMILESC#CCNC1CCc2ccc(OC(=O)N(C)C)cc21
InChIInChI=1S/C15H18N2O2/c1-4-9-16-14-8-6-11-5-7-12(10-13(11)14)19-15(18)17(2)3/h1,5,7,10,14,16H,6,8-9H2,2-3H3
InChIKeyHLSVSCQFGAPXKJ-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.96
Rot. Bonds3

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

[3-(prop-2-ynylamino)-2,3-dihydro-1H-inden-5-yl] N,N-dimethylcarbamate (PubChem CID 15908437) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is [3-(prop-2-ynylamino)-2,3-dihydro-1H-inden-5-yl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[3-(prop-2-ynylamino)-2,3-dihydro-1H-inden-5-yl] N,N-dimethylcarbamate
PubChem CID15908437
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name[3-(prop-2-ynylamino)-2,3-dihydro-1H-inden-5-yl] N,N-dimethylcarbamate
SMILESC#CCNC1CCc2ccc(OC(=O)N(C)C)cc21
InChIInChI=1S/C15H18N2O2/c1-4-9-16-14-8-6-11-5-7-12(10-13(11)14)19-15(18)17(2)3/h1,5,7,10,14,16H,6,8-9H2,2-3H3
InChIKeyHLSVSCQFGAPXKJ-UHFFFAOYSA-N
XLogP1.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.96
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 [3-(prop-2-ynylamino)-2,3-dihydro-1H-inden-5-yl] N,N-dimethylcarbamate?
The IUPAC name of [3-(prop-2-ynylamino)-2,3-dihydro-1H-inden-5-yl] N,N-dimethylcarbamate (CID 15908437) is [3-(prop-2-ynylamino)-2,3-dihydro-1H-inden-5-yl] N,N-dimethylcarbamate.
What is the SMILES notation for [3-(prop-2-ynylamino)-2,3-dihydro-1H-inden-5-yl] N,N-dimethylcarbamate?
The canonical SMILES for [3-(prop-2-ynylamino)-2,3-dihydro-1H-inden-5-yl] N,N-dimethylcarbamate is C#CCNC1CCc2ccc(OC(=O)N(C)C)cc21.
What is the InChIKey of [3-(prop-2-ynylamino)-2,3-dihydro-1H-inden-5-yl] N,N-dimethylcarbamate?
The InChIKey is HLSVSCQFGAPXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-4-9-16-14-8-6-11-5-7-12(10-13(11)14)19-15(18)17(2)3/h1,5,7,10,14,16H,6,8-9H2,2-3H3.
What are the key properties of [3-(prop-2-ynylamino)-2,3-dihydro-1H-inden-5-yl] N,N-dimethylcarbamate?
[3-(prop-2-ynylamino)-2,3-dihydro-1H-inden-5-yl] N,N-dimethylcarbamate has a molecular weight of 258.32 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(prop-2-ynylamino)-2,3-dihydro-1H-inden-5-yl] N,N-dimethylcarbamate is sourced from PubChem (CID 15908437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).