ethylcarbamic acid;7-methoxy-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole-6-carbonitrile

C17H23N3O3 — CID 67202489

IUPACethylcarbamic acid;7-methoxy-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole-6-carbonitrile
SMILESCCNC(=O)O.COc1cc2c(cc1C#N)C(C)C1CNCC21
InChIInChI=1S/C14H16N2O.C3H7NO2/c1-8-10-3-9(5-15)14(17-2)4-11(10)13-7-16-6-12(8)13;1-2-4-3(5)6/h3-4,8,12-13,16H,6-7H2,1-2H3;4H,2H2,1H3,(H,5,6)
InChIKeyQNLQHVHPUXTOQO-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.26
Rot. Bonds2

About ethylcarbamic acid;7-methoxy-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole-6-carbonitrile

ethylcarbamic acid;7-methoxy-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole-6-carbonitrile (PubChem CID 67202489) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is ethylcarbamic acid;7-methoxy-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole-6-carbonitrile.

Molecular Properties

Compound Nameethylcarbamic acid;7-methoxy-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole-6-carbonitrile
PubChem CID67202489
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Nameethylcarbamic acid;7-methoxy-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole-6-carbonitrile
SMILESCCNC(=O)O.COc1cc2c(cc1C#N)C(C)C1CNCC21
InChIInChI=1S/C14H16N2O.C3H7NO2/c1-8-10-3-9(5-15)14(17-2)4-11(10)13-7-16-6-12(8)13;1-2-4-3(5)6/h3-4,8,12-13,16H,6-7H2,1-2H3;4H,2H2,1H3,(H,5,6)
InChIKeyQNLQHVHPUXTOQO-UHFFFAOYSA-N
XLogP2.26
TPSA94.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze ethylcarbamic acid;7-methoxy-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole-6-carbonitrile 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 ethylcarbamic acid;7-methoxy-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole-6-carbonitrile?
The IUPAC name of ethylcarbamic acid;7-methoxy-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole-6-carbonitrile (CID 67202489) is ethylcarbamic acid;7-methoxy-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole-6-carbonitrile.
What is the SMILES notation for ethylcarbamic acid;7-methoxy-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole-6-carbonitrile?
The canonical SMILES for ethylcarbamic acid;7-methoxy-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole-6-carbonitrile is CCNC(=O)O.COc1cc2c(cc1C#N)C(C)C1CNCC21.
What is the InChIKey of ethylcarbamic acid;7-methoxy-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole-6-carbonitrile?
The InChIKey is QNLQHVHPUXTOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O.C3H7NO2/c1-8-10-3-9(5-15)14(17-2)4-11(10)13-7-16-6-12(8)13;1-2-4-3(5)6/h3-4,8,12-13,16H,6-7H2,1-2H3;4H,2H2,1H3,(H,5,6).
What are the key properties of ethylcarbamic acid;7-methoxy-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole-6-carbonitrile?
ethylcarbamic acid;7-methoxy-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole-6-carbonitrile has a molecular weight of 317.39 g/mol, XLogP of 2.26, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethylcarbamic acid;7-methoxy-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole-6-carbonitrile is sourced from PubChem (CID 67202489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).