ethyl 5-(diethylamino)-2,3-dihydro-1H-indene-1-carboxylate

C16H23NO2 — CID 163529307

IUPACethyl 5-(diethylamino)-2,3-dihydro-1H-indene-1-carboxylate
SMILESCCOC(=O)C1CCc2cc(N(CC)CC)ccc21
InChIInChI=1S/C16H23NO2/c1-4-17(5-2)13-8-10-14-12(11-13)7-9-15(14)16(18)19-6-3/h8,10-11,15H,4-7,9H2,1-3H3
InChIKeyDRNYJNJWUGCRQM-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.13
Rot. Bonds5

About ethyl 5-(diethylamino)-2,3-dihydro-1H-indene-1-carboxylate

ethyl 5-(diethylamino)-2,3-dihydro-1H-indene-1-carboxylate (PubChem CID 163529307) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is ethyl 5-(diethylamino)-2,3-dihydro-1H-indene-1-carboxylate.

Molecular Properties

Compound Nameethyl 5-(diethylamino)-2,3-dihydro-1H-indene-1-carboxylate
PubChem CID163529307
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Nameethyl 5-(diethylamino)-2,3-dihydro-1H-indene-1-carboxylate
SMILESCCOC(=O)C1CCc2cc(N(CC)CC)ccc21
InChIInChI=1S/C16H23NO2/c1-4-17(5-2)13-8-10-14-12(11-13)7-9-15(14)16(18)19-6-3/h8,10-11,15H,4-7,9H2,1-3H3
InChIKeyDRNYJNJWUGCRQM-UHFFFAOYSA-N
XLogP3.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(diethylamino)-2,3-dihydro-1H-indene-1-carboxylate?
The IUPAC name of ethyl 5-(diethylamino)-2,3-dihydro-1H-indene-1-carboxylate (CID 163529307) is ethyl 5-(diethylamino)-2,3-dihydro-1H-indene-1-carboxylate.
What is the SMILES notation for ethyl 5-(diethylamino)-2,3-dihydro-1H-indene-1-carboxylate?
The canonical SMILES for ethyl 5-(diethylamino)-2,3-dihydro-1H-indene-1-carboxylate is CCOC(=O)C1CCc2cc(N(CC)CC)ccc21.
What is the InChIKey of ethyl 5-(diethylamino)-2,3-dihydro-1H-indene-1-carboxylate?
The InChIKey is DRNYJNJWUGCRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-4-17(5-2)13-8-10-14-12(11-13)7-9-15(14)16(18)19-6-3/h8,10-11,15H,4-7,9H2,1-3H3.
What are the key properties of ethyl 5-(diethylamino)-2,3-dihydro-1H-indene-1-carboxylate?
ethyl 5-(diethylamino)-2,3-dihydro-1H-indene-1-carboxylate has a molecular weight of 261.36 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(diethylamino)-2,3-dihydro-1H-indene-1-carboxylate is sourced from PubChem (CID 163529307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).