8-methoxy-2-propyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrole;hydrochloride

C15H22ClNO — CID 67755038

IUPAC8-methoxy-2-propyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrole;hydrochloride
SMILESCCCN1CC2Cc3cccc(OC)c3C2C1.Cl
InChIInChI=1S/C15H21NO.ClH/c1-3-7-16-9-12-8-11-5-4-6-14(17-2)15(11)13(12)10-16;/h4-6,12-13H,3,7-10H2,1-2H3;1H
InChIKeyDOBOTSVDDMDQSL-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.10
Rot. Bonds3

About 8-methoxy-2-propyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrole;hydrochloride

8-methoxy-2-propyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrole;hydrochloride (PubChem CID 67755038) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 8-methoxy-2-propyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrole;hydrochloride.

Molecular Properties

Compound Name8-methoxy-2-propyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrole;hydrochloride
PubChem CID67755038
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name8-methoxy-2-propyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrole;hydrochloride
SMILESCCCN1CC2Cc3cccc(OC)c3C2C1.Cl
InChIInChI=1S/C15H21NO.ClH/c1-3-7-16-9-12-8-11-5-4-6-14(17-2)15(11)13(12)10-16;/h4-6,12-13H,3,7-10H2,1-2H3;1H
InChIKeyDOBOTSVDDMDQSL-UHFFFAOYSA-N
XLogP3.10
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(8-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)acetonitrile
CID 15662355
8-[5-(8-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)pentyl]-8-azaspiro[4.5]decane-7,9-dione
CID 15662368
(4aS,9aR)-2-benzyl-5-methoxy-1,3,4,4a,9,9a-hexahydroindeno[2,1-c]pyridine
CID 14975313
2-[(3aS,9bS)-9-methoxy-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindol-2-yl]acetonitrile
CID 22869353
(4aR,9aR)-5-methoxy-2-propyl-4,4a,9,9a-tetrahydroindeno[2,1-c]pyridine-1,3-dione
CID 10061844
(4aR,9aR)-2-propyl-1,3,4,4a,9,9a-hexahydroindeno[2,1-c]pyridin-5-ol;hydrobromide
CID 67754649
(3aR,9bS)-9-methoxy-3-propyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indole;hydrochloride
CID 67720360
8-[4-[(3aS,9bR)-9-methoxy-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindol-2-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride
CID 18646950
N-[2-[(4aS,9aR)-5-methoxy-1,3,4,4a,9,9a-hexahydroindeno[2,1-c]pyridin-2-yl]ethyl]-4-fluorobenzamide;hydrochloride
CID 67754305
(3aR,9bS)-9-methoxy-3-propyl-3a,4,5,9b-tetrahydro-1H-benzo[e]indol-2-one
CID 10038193
(1S,7R)-4-[4-[(4aS,9aR)-5-methoxy-1,3,4,4a,9,9a-hexahydroindeno[2,1-c]pyridin-2-yl]butyl]-4-azatetracyclo[5.4.2.02,6.08,11]trideca-9,12-diene-3,5-dione
CID 10027192
9-methoxy-2-methyl-3-propyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indole
CID 23190066

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-propyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrole;hydrochloride?
The IUPAC name of 8-methoxy-2-propyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrole;hydrochloride (CID 67755038) is 8-methoxy-2-propyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrole;hydrochloride.
What is the SMILES notation for 8-methoxy-2-propyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrole;hydrochloride?
The canonical SMILES for 8-methoxy-2-propyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrole;hydrochloride is CCCN1CC2Cc3cccc(OC)c3C2C1.Cl.
What is the InChIKey of 8-methoxy-2-propyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrole;hydrochloride?
The InChIKey is DOBOTSVDDMDQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO.ClH/c1-3-7-16-9-12-8-11-5-4-6-14(17-2)15(11)13(12)10-16;/h4-6,12-13H,3,7-10H2,1-2H3;1H.
What are the key properties of 8-methoxy-2-propyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrole;hydrochloride?
8-methoxy-2-propyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrole;hydrochloride has a molecular weight of 267.80 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-propyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrole;hydrochloride is sourced from PubChem (CID 67755038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).