1-[2-[6-(2-cyclopropylethyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]ethyl]-3-prop-1-en-2-ylindole

C26H36N2 — CID 89343538

IUPAC1-[2-[6-(2-cyclopropylethyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]ethyl]-3-prop-1-en-2-ylindole
SMILESC=C(C)c1cn(CCN2CCCC3CC(CCC4CC4)CC32)c2ccccc12
InChIInChI=1S/C26H36N2/c1-19(2)24-18-28(25-8-4-3-7-23(24)25)15-14-27-13-5-6-22-16-21(17-26(22)27)12-11-20-9-10-20/h3-4,7-8,18,20-22,26H,1,5-6,9-17H2,2H3
InChIKeyHVMDKEBUJLYABD-UHFFFAOYSA-N
MW376.59 g/mol
LogP6.36
Rot. Bonds7

About 1-[2-[6-(2-cyclopropylethyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]ethyl]-3-prop-1-en-2-ylindole

1-[2-[6-(2-cyclopropylethyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]ethyl]-3-prop-1-en-2-ylindole (PubChem CID 89343538) has the molecular formula C26H36N2 and a molecular weight of 376.59 g/mol. Its IUPAC name is 1-[2-[6-(2-cyclopropylethyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]ethyl]-3-prop-1-en-2-ylindole.

Molecular Properties

Compound Name1-[2-[6-(2-cyclopropylethyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]ethyl]-3-prop-1-en-2-ylindole
PubChem CID89343538
Molecular FormulaC26H36N2
Molecular Weight376.59 g/mol
Exact Mass376.29
IUPAC Name1-[2-[6-(2-cyclopropylethyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]ethyl]-3-prop-1-en-2-ylindole
SMILESC=C(C)c1cn(CCN2CCCC3CC(CCC4CC4)CC32)c2ccccc12
InChIInChI=1S/C26H36N2/c1-19(2)24-18-28(25-8-4-3-7-23(24)25)15-14-27-13-5-6-22-16-21(17-26(22)27)12-11-20-9-10-20/h3-4,7-8,18,20-22,26H,1,5-6,9-17H2,2H3
InChIKeyHVMDKEBUJLYABD-UHFFFAOYSA-N
XLogP6.36
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.59
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[2-[6-(2-cyclopropylethyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]ethyl]-3-prop-1-en-2-ylindole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[6-(2-cyclopropylethyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]ethyl]-3-prop-1-en-2-ylindole?
The IUPAC name of 1-[2-[6-(2-cyclopropylethyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]ethyl]-3-prop-1-en-2-ylindole (CID 89343538) is 1-[2-[6-(2-cyclopropylethyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]ethyl]-3-prop-1-en-2-ylindole.
What is the SMILES notation for 1-[2-[6-(2-cyclopropylethyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]ethyl]-3-prop-1-en-2-ylindole?
The canonical SMILES for 1-[2-[6-(2-cyclopropylethyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]ethyl]-3-prop-1-en-2-ylindole is C=C(C)c1cn(CCN2CCCC3CC(CCC4CC4)CC32)c2ccccc12.
What is the InChIKey of 1-[2-[6-(2-cyclopropylethyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]ethyl]-3-prop-1-en-2-ylindole?
The InChIKey is HVMDKEBUJLYABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2/c1-19(2)24-18-28(25-8-4-3-7-23(24)25)15-14-27-13-5-6-22-16-21(17-26(22)27)12-11-20-9-10-20/h3-4,7-8,18,20-22,26H,1,5-6,9-17H2,2H3.
What are the key properties of 1-[2-[6-(2-cyclopropylethyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]ethyl]-3-prop-1-en-2-ylindole?
1-[2-[6-(2-cyclopropylethyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]ethyl]-3-prop-1-en-2-ylindole has a molecular weight of 376.59 g/mol, XLogP of 6.36, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[6-(2-cyclopropylethyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]ethyl]-3-prop-1-en-2-ylindole is sourced from PubChem (CID 89343538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).