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

C20H29N3O2 — CID 67753153

IUPAC(3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-8-yl) N-cyclohexylcarbamate
SMILESCN1CCC2(C)c3c(OC(=O)NC4CCCCC4)cccc3N(C)C12
InChIInChI=1S/C20H29N3O2/c1-20-12-13-22(2)18(20)23(3)15-10-7-11-16(17(15)20)25-19(24)21-14-8-5-4-6-9-14/h7,10-11,14,18H,4-6,8-9,12-13H2,1-3H3,(H,21,24)
InChIKeyCOMMDNNNICEFSC-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.48
Rot. Bonds2

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

(3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-8-yl) N-cyclohexylcarbamate (PubChem CID 67753153) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is (3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-8-yl) N-cyclohexylcarbamate.

Molecular Properties

Compound Name(3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-8-yl) N-cyclohexylcarbamate
PubChem CID67753153
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name(3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-8-yl) N-cyclohexylcarbamate
SMILESCN1CCC2(C)c3c(OC(=O)NC4CCCCC4)cccc3N(C)C12
InChIInChI=1S/C20H29N3O2/c1-20-12-13-22(2)18(20)23(3)15-10-7-11-16(17(15)20)25-19(24)21-14-8-5-4-6-9-14/h7,10-11,14,18H,4-6,8-9,12-13H2,1-3H3,(H,21,24)
InChIKeyCOMMDNNNICEFSC-UHFFFAOYSA-N
XLogP3.48
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-8-yl) N-cyclohexylcarbamate 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 (3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-8-yl) N-cyclohexylcarbamate?
The IUPAC name of (3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-8-yl) N-cyclohexylcarbamate (CID 67753153) is (3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-8-yl) N-cyclohexylcarbamate.
What is the SMILES notation for (3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-8-yl) N-cyclohexylcarbamate?
The canonical SMILES for (3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-8-yl) N-cyclohexylcarbamate is CN1CCC2(C)c3c(OC(=O)NC4CCCCC4)cccc3N(C)C12.
What is the InChIKey of (3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-8-yl) N-cyclohexylcarbamate?
The InChIKey is COMMDNNNICEFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-20-12-13-22(2)18(20)23(3)15-10-7-11-16(17(15)20)25-19(24)21-14-8-5-4-6-9-14/h7,10-11,14,18H,4-6,8-9,12-13H2,1-3H3,(H,21,24).
What are the key properties of (3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-8-yl) N-cyclohexylcarbamate?
(3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-8-yl) N-cyclohexylcarbamate has a molecular weight of 343.47 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-8-yl) N-cyclohexylcarbamate is sourced from PubChem (CID 67753153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).