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

C15H20ClN3O2 — CID 19692947

IUPAC(7-chloro-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-6-yl) N-methylcarbamate
SMILESCNC(=O)Oc1cc2c(cc1Cl)C1(C)CCN(C)C1N2C
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)
InChIKeyAOQORGYUGHMOCV-UHFFFAOYSA-N
MW309.80 g/mol
LogP2.43
Rot. Bonds1

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

(7-chloro-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-6-yl) N-methylcarbamate (PubChem CID 19692947) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is (7-chloro-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-6-yl) N-methylcarbamate.

Molecular Properties

Compound Name(7-chloro-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-6-yl) N-methylcarbamate
PubChem CID19692947
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name(7-chloro-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-6-yl) N-methylcarbamate
SMILESCNC(=O)Oc1cc2c(cc1Cl)C1(C)CCN(C)C1N2C
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)
InChIKeyAOQORGYUGHMOCV-UHFFFAOYSA-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (7-chloro-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-6-yl) N-methylcarbamate?
The IUPAC name of (7-chloro-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-6-yl) N-methylcarbamate (CID 19692947) is (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 (7-chloro-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-6-yl) N-methylcarbamate?
The canonical SMILES for (7-chloro-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-6-yl) N-methylcarbamate is CNC(=O)Oc1cc2c(cc1Cl)C1(C)CCN(C)C1N2C.
What is the InChIKey of (7-chloro-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-6-yl) N-methylcarbamate?
The InChIKey is AOQORGYUGHMOCV-UHFFFAOYSA-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).
What are the key properties of (7-chloro-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-6-yl) N-methylcarbamate?
(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 (7-chloro-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-6-yl) N-methylcarbamate is sourced from PubChem (CID 19692947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).