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

C19H28N2O2 — CID 15751387

IUPAC(3-ethyl-8b-methyl-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrol-7-yl) N-tert-butylcarbamate
SMILESCCN1CCC2(C)c3cc(OC(=O)NC(C)(C)C)ccc3CC12
InChIInChI=1S/C19H28N2O2/c1-6-21-10-9-19(5)15-12-14(8-7-13(15)11-16(19)21)23-17(22)20-18(2,3)4/h7-8,12,16H,6,9-11H2,1-5H3,(H,20,22)
InChIKeyCSENCZKLXRJGFD-UHFFFAOYSA-N
MW316.45 g/mol
LogP3.48
Rot. Bonds2

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

(3-ethyl-8b-methyl-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrol-7-yl) N-tert-butylcarbamate (PubChem CID 15751387) has the molecular formula C19H28N2O2 and a molecular weight of 316.45 g/mol. Its IUPAC name is (3-ethyl-8b-methyl-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrol-7-yl) N-tert-butylcarbamate.

Molecular Properties

Compound Name(3-ethyl-8b-methyl-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrol-7-yl) N-tert-butylcarbamate
PubChem CID15751387
Molecular FormulaC19H28N2O2
Molecular Weight316.45 g/mol
Exact Mass316.22
IUPAC Name(3-ethyl-8b-methyl-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrol-7-yl) N-tert-butylcarbamate
SMILESCCN1CCC2(C)c3cc(OC(=O)NC(C)(C)C)ccc3CC12
InChIInChI=1S/C19H28N2O2/c1-6-21-10-9-19(5)15-12-14(8-7-13(15)11-16(19)21)23-17(22)20-18(2,3)4/h7-8,12,16H,6,9-11H2,1-5H3,(H,20,22)
InChIKeyCSENCZKLXRJGFD-UHFFFAOYSA-N
XLogP3.48
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-ethyl-8b-methyl-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrol-7-yl) N-tert-butylcarbamate?
The IUPAC name of (3-ethyl-8b-methyl-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrol-7-yl) N-tert-butylcarbamate (CID 15751387) is (3-ethyl-8b-methyl-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrol-7-yl) N-tert-butylcarbamate.
What is the SMILES notation for (3-ethyl-8b-methyl-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrol-7-yl) N-tert-butylcarbamate?
The canonical SMILES for (3-ethyl-8b-methyl-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrol-7-yl) N-tert-butylcarbamate is CCN1CCC2(C)c3cc(OC(=O)NC(C)(C)C)ccc3CC12.
What is the InChIKey of (3-ethyl-8b-methyl-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrol-7-yl) N-tert-butylcarbamate?
The InChIKey is CSENCZKLXRJGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-6-21-10-9-19(5)15-12-14(8-7-13(15)11-16(19)21)23-17(22)20-18(2,3)4/h7-8,12,16H,6,9-11H2,1-5H3,(H,20,22).
What are the key properties of (3-ethyl-8b-methyl-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrol-7-yl) N-tert-butylcarbamate?
(3-ethyl-8b-methyl-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrol-7-yl) N-tert-butylcarbamate has a molecular weight of 316.45 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-8b-methyl-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrol-7-yl) N-tert-butylcarbamate is sourced from PubChem (CID 15751387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).