[3-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-4-yl] N,N-dimethylcarbamate

C16H20N2O2 — CID 10913884

IUPAC[3-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-4-yl] N,N-dimethylcarbamate
SMILESC#CCN(C)C1CCc2cccc(OC(=O)N(C)C)c21
InChIInChI=1S/C16H20N2O2/c1-5-11-18(4)13-10-9-12-7-6-8-14(15(12)13)20-16(19)17(2)3/h1,6-8,13H,9-11H2,2-4H3
InChIKeyLUAGXUFRPKJMDF-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.30
Rot. Bonds3

About [3-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-4-yl] N,N-dimethylcarbamate

[3-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-4-yl] N,N-dimethylcarbamate (PubChem CID 10913884) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is [3-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-4-yl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[3-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-4-yl] N,N-dimethylcarbamate
PubChem CID10913884
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name[3-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-4-yl] N,N-dimethylcarbamate
SMILESC#CCN(C)C1CCc2cccc(OC(=O)N(C)C)c21
InChIInChI=1S/C16H20N2O2/c1-5-11-18(4)13-10-9-12-7-6-8-14(15(12)13)20-16(19)17(2)3/h1,6-8,13H,9-11H2,2-4H3
InChIKeyLUAGXUFRPKJMDF-UHFFFAOYSA-N
XLogP2.30
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.30
H-Bond Donors ≤ 50
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-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-4-yl] N,N-dimethylcarbamate?
The IUPAC name of [3-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-4-yl] N,N-dimethylcarbamate (CID 10913884) is [3-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-4-yl] N,N-dimethylcarbamate.
What is the SMILES notation for [3-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-4-yl] N,N-dimethylcarbamate?
The canonical SMILES for [3-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-4-yl] N,N-dimethylcarbamate is C#CCN(C)C1CCc2cccc(OC(=O)N(C)C)c21.
What is the InChIKey of [3-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-4-yl] N,N-dimethylcarbamate?
The InChIKey is LUAGXUFRPKJMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-5-11-18(4)13-10-9-12-7-6-8-14(15(12)13)20-16(19)17(2)3/h1,6-8,13H,9-11H2,2-4H3.
What are the key properties of [3-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-4-yl] N,N-dimethylcarbamate?
[3-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-4-yl] N,N-dimethylcarbamate has a molecular weight of 272.35 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[methyl(prop-2-ynyl)amino]-2,3-dihydro-1H-inden-4-yl] N,N-dimethylcarbamate is sourced from PubChem (CID 10913884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).