[(3aS,8bR)-3-ethyl-8b-methyl-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrol-7-yl] N-propylcarbamate

C18H26N2O2 — CID 24836315

IUPAC[(3aS,8bR)-3-ethyl-8b-methyl-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrol-7-yl] N-propylcarbamate
SMILESCCCNC(=O)Oc1ccc2c(c1)[C@@]1(C)CCN(CC)[C@H]1C2
InChIInChI=1S/C18H26N2O2/c1-4-9-19-17(21)22-14-7-6-13-11-16-18(3,15(13)12-14)8-10-20(16)5-2/h6-7,12,16H,4-5,8-11H2,1-3H3,(H,19,21)/t16-,18+/m0/s1
InChIKeyXAWCVUBHVCUDBZ-FUHWJXTLSA-N
MW302.42 g/mol
LogP3.09
Rot. Bonds4

About [(3aS,8bR)-3-ethyl-8b-methyl-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrol-7-yl] N-propylcarbamate

[(3aS,8bR)-3-ethyl-8b-methyl-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrol-7-yl] N-propylcarbamate (PubChem CID 24836315) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is [(3aS,8bR)-3-ethyl-8b-methyl-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrol-7-yl] N-propylcarbamate.

Molecular Properties

Compound Name[(3aS,8bR)-3-ethyl-8b-methyl-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrol-7-yl] N-propylcarbamate
PubChem CID24836315
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name[(3aS,8bR)-3-ethyl-8b-methyl-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrol-7-yl] N-propylcarbamate
SMILESCCCNC(=O)Oc1ccc2c(c1)[C@@]1(C)CCN(CC)[C@H]1C2
InChIInChI=1S/C18H26N2O2/c1-4-9-19-17(21)22-14-7-6-13-11-16-18(3,15(13)12-14)8-10-20(16)5-2/h6-7,12,16H,4-5,8-11H2,1-3H3,(H,19,21)/t16-,18+/m0/s1
InChIKeyXAWCVUBHVCUDBZ-FUHWJXTLSA-N
XLogP3.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3aS,8bR)-3-ethyl-8b-methyl-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrol-7-yl] N-propylcarbamate?
The IUPAC name of [(3aS,8bR)-3-ethyl-8b-methyl-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrol-7-yl] N-propylcarbamate (CID 24836315) is [(3aS,8bR)-3-ethyl-8b-methyl-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrol-7-yl] N-propylcarbamate.
What is the SMILES notation for [(3aS,8bR)-3-ethyl-8b-methyl-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrol-7-yl] N-propylcarbamate?
The canonical SMILES for [(3aS,8bR)-3-ethyl-8b-methyl-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrol-7-yl] N-propylcarbamate is CCCNC(=O)Oc1ccc2c(c1)[C@@]1(C)CCN(CC)[C@H]1C2.
What is the InChIKey of [(3aS,8bR)-3-ethyl-8b-methyl-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrol-7-yl] N-propylcarbamate?
The InChIKey is XAWCVUBHVCUDBZ-FUHWJXTLSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-4-9-19-17(21)22-14-7-6-13-11-16-18(3,15(13)12-14)8-10-20(16)5-2/h6-7,12,16H,4-5,8-11H2,1-3H3,(H,19,21)/t16-,18+/m0/s1.
What are the key properties of [(3aS,8bR)-3-ethyl-8b-methyl-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrol-7-yl] N-propylcarbamate?
[(3aS,8bR)-3-ethyl-8b-methyl-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrol-7-yl] N-propylcarbamate has a molecular weight of 302.42 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,8bR)-3-ethyl-8b-methyl-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrol-7-yl] N-propylcarbamate is sourced from PubChem (CID 24836315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).