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

C14H16N2O — CID 67202490

IUPAC7-methoxy-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole-6-carbonitrile
SMILESCOc1cc2c(cc1C#N)C(C)C1CNCC21
InChIInChI=1S/C14H16N2O/c1-8-10-3-9(5-15)14(17-2)4-11(10)13-7-16-6-12(8)13/h3-4,8,12-13,16H,6-7H2,1-2H3
InChIKeyCVCBVBLSTQQHRH-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.99
Rot. Bonds1

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

7-methoxy-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole-6-carbonitrile (PubChem CID 67202490) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 7-methoxy-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole-6-carbonitrile.

Molecular Properties

Compound Name7-methoxy-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole-6-carbonitrile
PubChem CID67202490
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name7-methoxy-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole-6-carbonitrile
SMILESCOc1cc2c(cc1C#N)C(C)C1CNCC21
InChIInChI=1S/C14H16N2O/c1-8-10-3-9(5-15)14(17-2)4-11(10)13-7-16-6-12(8)13/h3-4,8,12-13,16H,6-7H2,1-2H3
InChIKeyCVCBVBLSTQQHRH-UHFFFAOYSA-N
XLogP1.99
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-methoxy-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole-6-carbonitrile with MolForge

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Related Compounds

ethylcarbamic acid;7-methoxy-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole-6-carbonitrile
CID 67202489
7-methoxy-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole
CID 11542980
6,8-dichloro-7-methoxy-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole
CID 11616021
2-methoxy-5-methyl-4-[(2R)-oxiran-2-yl]benzonitrile
CID 124560285
5-fluoro-2-methoxy-4-[(2R)-oxiran-2-yl]benzonitrile
CID 124560287
3-(azetidin-3-yl)-4-methoxy-2-methylbenzonitrile
CID 89422243
2-methoxy-4-[(2S)-piperazin-2-yl]benzonitrile
CID 71272457
5-(azetidin-3-ylmethylsulfinylmethyl)-2-methoxybenzonitrile
CID 81196115
2-methoxy-4-(pyrrolidin-3-ylmethoxymethyl)benzonitrile
CID 106792418
4-(3-hydroxyazetidin-3-yl)-2,5-dimethoxybenzonitrile
CID 166080763
7-methoxy-2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinoline-6-carbonitrile
CID 133202957
5-(6-amino-5-methyl-4,5-dihydropyridazin-3-yl)-2-methoxybenzonitrile
CID 65340702

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole-6-carbonitrile?
The IUPAC name of 7-methoxy-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole-6-carbonitrile (CID 67202490) is 7-methoxy-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole-6-carbonitrile.
What is the SMILES notation for 7-methoxy-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole-6-carbonitrile?
The canonical SMILES for 7-methoxy-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole-6-carbonitrile is COc1cc2c(cc1C#N)C(C)C1CNCC21.
What is the InChIKey of 7-methoxy-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole-6-carbonitrile?
The InChIKey is CVCBVBLSTQQHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-8-10-3-9(5-15)14(17-2)4-11(10)13-7-16-6-12(8)13/h3-4,8,12-13,16H,6-7H2,1-2H3.
What are the key properties of 7-methoxy-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole-6-carbonitrile?
7-methoxy-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole-6-carbonitrile has a molecular weight of 228.29 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole-6-carbonitrile is sourced from PubChem (CID 67202490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).