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

C13H17NO — CID 11542980

IUPAC7-methoxy-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole
SMILESCOc1ccc2c(c1)C1CNCC1C2C
InChIInChI=1S/C13H17NO/c1-8-10-4-3-9(15-2)5-11(10)13-7-14-6-12(8)13/h3-5,8,12-14H,6-7H2,1-2H3
InChIKeyCUWZDAXKKWBGLQ-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.12
Rot. Bonds1

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

7-methoxy-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole (PubChem CID 11542980) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 7-methoxy-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole.

Molecular Properties

Compound Name7-methoxy-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole
PubChem CID11542980
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name7-methoxy-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole
SMILESCOc1ccc2c(c1)C1CNCC1C2C
InChIInChI=1S/C13H17NO/c1-8-10-4-3-9(15-2)5-11(10)13-7-14-6-12(8)13/h3-5,8,12-14H,6-7H2,1-2H3
InChIKeyCUWZDAXKKWBGLQ-UHFFFAOYSA-N
XLogP2.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-7-methoxy-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole
CID 58598878
ethylcarbamic acid;7-[(2-fluorophenyl)methoxy]-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole
CID 67202334
4-(2,5-dimethoxyphenyl)pyrrolidine-3-carboxylic acid
CID 63938447
6,8-dichloro-7-methoxy-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole
CID 11616021
(4S)-3-(4-methoxyphenyl)-4-methylpyrrolidine
CID 58606780
1-ethyl-7-methoxy-4-methyl-1,2,3,4-tetrahydroisoquinoline
CID 64689174
6-methoxy-N,2,3-trimethyl-2,3-dihydro-1H-inden-1-amine
CID 79726730
3-cyclopentyl-4-(2,4-dimethoxyphenyl)piperidine
CID 115927092
3-(2,5-dimethoxyphenyl)piperidin-4-amine
CID 82621034
(3S,4R)-4-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 2762171
(3S,4S)-3-ethyl-4-(4-methoxyphenyl)pyrrolidine
CID 124705549
3-(2-bromo-4-methoxyphenoxy)azetidine
CID 53409199

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole?
The IUPAC name of 7-methoxy-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole (CID 11542980) is 7-methoxy-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole.
What is the SMILES notation for 7-methoxy-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole?
The canonical SMILES for 7-methoxy-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole is COc1ccc2c(c1)C1CNCC1C2C.
What is the InChIKey of 7-methoxy-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole?
The InChIKey is CUWZDAXKKWBGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-8-10-4-3-9(15-2)5-11(10)13-7-14-6-12(8)13/h3-5,8,12-14H,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?
7-methoxy-4-methyl-1,2,3,3a,4,8b-hexahydroindeno[1,2-c]pyrrole has a molecular weight of 203.28 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 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 is sourced from PubChem (CID 11542980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).