(4aR,9aR)-2-propyl-1,3,4,4a,9,9a-hexahydroindeno[2,1-c]pyridin-5-ol;hydrobromide

C15H22BrNO — CID 67754649

IUPAC(4aR,9aR)-2-propyl-1,3,4,4a,9,9a-hexahydroindeno[2,1-c]pyridin-5-ol;hydrobromide
SMILESBr.CCCN1CC[C@H]2c3c(O)cccc3C[C@H]2C1
InChIInChI=1S/C15H21NO.BrH/c1-2-7-16-8-6-13-12(10-16)9-11-4-3-5-14(17)15(11)13;/h3-5,12-13,17H,2,6-10H2,1H3;1H/t12-,13+;/m0./s1
InChIKeyHORODPRVBWIXPO-JHEYCYPBSA-N
MW312.25 g/mol
LogP3.34
Rot. Bonds2

About (4aR,9aR)-2-propyl-1,3,4,4a,9,9a-hexahydroindeno[2,1-c]pyridin-5-ol;hydrobromide

(4aR,9aR)-2-propyl-1,3,4,4a,9,9a-hexahydroindeno[2,1-c]pyridin-5-ol;hydrobromide (PubChem CID 67754649) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is (4aR,9aR)-2-propyl-1,3,4,4a,9,9a-hexahydroindeno[2,1-c]pyridin-5-ol;hydrobromide.

Molecular Properties

Compound Name(4aR,9aR)-2-propyl-1,3,4,4a,9,9a-hexahydroindeno[2,1-c]pyridin-5-ol;hydrobromide
PubChem CID67754649
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name(4aR,9aR)-2-propyl-1,3,4,4a,9,9a-hexahydroindeno[2,1-c]pyridin-5-ol;hydrobromide
SMILESBr.CCCN1CC[C@H]2c3c(O)cccc3C[C@H]2C1
InChIInChI=1S/C15H21NO.BrH/c1-2-7-16-8-6-13-12(10-16)9-11-4-3-5-14(17)15(11)13;/h3-5,12-13,17H,2,6-10H2,1H3;1H/t12-,13+;/m0./s1
InChIKeyHORODPRVBWIXPO-JHEYCYPBSA-N
XLogP3.34
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4aR,9aR)-2-propyl-1,3,4,4a,9,9a-hexahydroindeno[2,1-c]pyridin-5-ol;hydrobromide?
The IUPAC name of (4aR,9aR)-2-propyl-1,3,4,4a,9,9a-hexahydroindeno[2,1-c]pyridin-5-ol;hydrobromide (CID 67754649) is (4aR,9aR)-2-propyl-1,3,4,4a,9,9a-hexahydroindeno[2,1-c]pyridin-5-ol;hydrobromide.
What is the SMILES notation for (4aR,9aR)-2-propyl-1,3,4,4a,9,9a-hexahydroindeno[2,1-c]pyridin-5-ol;hydrobromide?
The canonical SMILES for (4aR,9aR)-2-propyl-1,3,4,4a,9,9a-hexahydroindeno[2,1-c]pyridin-5-ol;hydrobromide is Br.CCCN1CC[C@H]2c3c(O)cccc3C[C@H]2C1.
What is the InChIKey of (4aR,9aR)-2-propyl-1,3,4,4a,9,9a-hexahydroindeno[2,1-c]pyridin-5-ol;hydrobromide?
The InChIKey is HORODPRVBWIXPO-JHEYCYPBSA-N. The full InChI is InChI=1S/C15H21NO.BrH/c1-2-7-16-8-6-13-12(10-16)9-11-4-3-5-14(17)15(11)13;/h3-5,12-13,17H,2,6-10H2,1H3;1H/t12-,13+;/m0./s1.
What are the key properties of (4aR,9aR)-2-propyl-1,3,4,4a,9,9a-hexahydroindeno[2,1-c]pyridin-5-ol;hydrobromide?
(4aR,9aR)-2-propyl-1,3,4,4a,9,9a-hexahydroindeno[2,1-c]pyridin-5-ol;hydrobromide has a molecular weight of 312.25 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,9aR)-2-propyl-1,3,4,4a,9,9a-hexahydroindeno[2,1-c]pyridin-5-ol;hydrobromide is sourced from PubChem (CID 67754649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).