[(3aS,8bR)-7-chloro-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-6-yl] N-methylcarbamate

C15H20ClN3O2 — CID 22848609

IUPAC[(3aS,8bR)-7-chloro-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-6-yl] N-methylcarbamate
SMILESCNC(=O)Oc1cc2c(cc1Cl)[C@@]1(C)CCN(C)[C@H]1N2C
InChIInChI=1S/C15H20ClN3O2/c1-15-5-6-18(3)13(15)19(4)11-8-12(21-14(20)17-2)10(16)7-9(11)15/h7-8,13H,5-6H2,1-4H3,(H,17,20)/t13-,15+/m0/s1
InChIKeyAOQORGYUGHMOCV-DZGCQCFKSA-N
MW309.80 g/mol
LogP2.43
Rot. Bonds1

About [(3aS,8bR)-7-chloro-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-6-yl] N-methylcarbamate

[(3aS,8bR)-7-chloro-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-6-yl] N-methylcarbamate (PubChem CID 22848609) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is [(3aS,8bR)-7-chloro-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-6-yl] N-methylcarbamate.

Molecular Properties

Compound Name[(3aS,8bR)-7-chloro-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-6-yl] N-methylcarbamate
PubChem CID22848609
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name[(3aS,8bR)-7-chloro-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-6-yl] N-methylcarbamate
SMILESCNC(=O)Oc1cc2c(cc1Cl)[C@@]1(C)CCN(C)[C@H]1N2C
InChIInChI=1S/C15H20ClN3O2/c1-15-5-6-18(3)13(15)19(4)11-8-12(21-14(20)17-2)10(16)7-9(11)15/h7-8,13H,5-6H2,1-4H3,(H,17,20)/t13-,15+/m0/s1
InChIKeyAOQORGYUGHMOCV-DZGCQCFKSA-N
XLogP2.43
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3aS,8bR)-7-chloro-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-6-yl] N-methylcarbamate?
The IUPAC name of [(3aS,8bR)-7-chloro-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-6-yl] N-methylcarbamate (CID 22848609) is [(3aS,8bR)-7-chloro-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-6-yl] N-methylcarbamate.
What is the SMILES notation for [(3aS,8bR)-7-chloro-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-6-yl] N-methylcarbamate?
The canonical SMILES for [(3aS,8bR)-7-chloro-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-6-yl] N-methylcarbamate is CNC(=O)Oc1cc2c(cc1Cl)[C@@]1(C)CCN(C)[C@H]1N2C.
What is the InChIKey of [(3aS,8bR)-7-chloro-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-6-yl] N-methylcarbamate?
The InChIKey is AOQORGYUGHMOCV-DZGCQCFKSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c1-15-5-6-18(3)13(15)19(4)11-8-12(21-14(20)17-2)10(16)7-9(11)15/h7-8,13H,5-6H2,1-4H3,(H,17,20)/t13-,15+/m0/s1.
What are the key properties of [(3aS,8bR)-7-chloro-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-6-yl] N-methylcarbamate?
[(3aS,8bR)-7-chloro-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-6-yl] N-methylcarbamate has a molecular weight of 309.80 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,8bR)-7-chloro-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-6-yl] N-methylcarbamate is sourced from PubChem (CID 22848609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).