10-ethyl-9-methyl-1,3,3a,4,5,10a-hexahydrofuro[3,4-b][1,5]benzodiazepine

C14H20N2O — CID 115554356

IUPAC10-ethyl-9-methyl-1,3,3a,4,5,10a-hexahydrofuro[3,4-b][1,5]benzodiazepine
SMILESCCN1c2c(C)cccc2NCC2COCC21
InChIInChI=1S/C14H20N2O/c1-3-16-13-9-17-8-11(13)7-15-12-6-4-5-10(2)14(12)16/h4-6,11,13,15H,3,7-9H2,1-2H3
InChIKeyTXLSTDSUDGSMGF-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.26
Rot. Bonds1

About 10-ethyl-9-methyl-1,3,3a,4,5,10a-hexahydrofuro[3,4-b][1,5]benzodiazepine

10-ethyl-9-methyl-1,3,3a,4,5,10a-hexahydrofuro[3,4-b][1,5]benzodiazepine (PubChem CID 115554356) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 10-ethyl-9-methyl-1,3,3a,4,5,10a-hexahydrofuro[3,4-b][1,5]benzodiazepine.

Molecular Properties

Compound Name10-ethyl-9-methyl-1,3,3a,4,5,10a-hexahydrofuro[3,4-b][1,5]benzodiazepine
PubChem CID115554356
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name10-ethyl-9-methyl-1,3,3a,4,5,10a-hexahydrofuro[3,4-b][1,5]benzodiazepine
SMILESCCN1c2c(C)cccc2NCC2COCC21
InChIInChI=1S/C14H20N2O/c1-3-16-13-9-17-8-11(13)7-15-12-6-4-5-10(2)14(12)16/h4-6,11,13,15H,3,7-9H2,1-2H3
InChIKeyTXLSTDSUDGSMGF-UHFFFAOYSA-N
XLogP2.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-ethyl-9-methyl-1,3,3a,4,5,10a-hexahydrofuro[3,4-b][1,5]benzodiazepine?
The IUPAC name of 10-ethyl-9-methyl-1,3,3a,4,5,10a-hexahydrofuro[3,4-b][1,5]benzodiazepine (CID 115554356) is 10-ethyl-9-methyl-1,3,3a,4,5,10a-hexahydrofuro[3,4-b][1,5]benzodiazepine.
What is the SMILES notation for 10-ethyl-9-methyl-1,3,3a,4,5,10a-hexahydrofuro[3,4-b][1,5]benzodiazepine?
The canonical SMILES for 10-ethyl-9-methyl-1,3,3a,4,5,10a-hexahydrofuro[3,4-b][1,5]benzodiazepine is CCN1c2c(C)cccc2NCC2COCC21.
What is the InChIKey of 10-ethyl-9-methyl-1,3,3a,4,5,10a-hexahydrofuro[3,4-b][1,5]benzodiazepine?
The InChIKey is TXLSTDSUDGSMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-3-16-13-9-17-8-11(13)7-15-12-6-4-5-10(2)14(12)16/h4-6,11,13,15H,3,7-9H2,1-2H3.
What are the key properties of 10-ethyl-9-methyl-1,3,3a,4,5,10a-hexahydrofuro[3,4-b][1,5]benzodiazepine?
10-ethyl-9-methyl-1,3,3a,4,5,10a-hexahydrofuro[3,4-b][1,5]benzodiazepine has a molecular weight of 232.33 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethyl-9-methyl-1,3,3a,4,5,10a-hexahydrofuro[3,4-b][1,5]benzodiazepine is sourced from PubChem (CID 115554356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).