2-(3,4-dihydro-2H-pyrrol-3-yl)-4-[4-[4-(1,2,5,6,7,8-hexahydronaphthalen-2-yl)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]cyclohexyl]-2,5-dihydro-1H-pyrrole

C34H46N2 — CID 67951594

IUPAC2-(3,4-dihydro-2H-pyrrol-3-yl)-4-[4-[4-(1,2,5,6,7,8-hexahydronaphthalen-2-yl)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]cyclohexyl]-2,5-dihydro-1H-pyrrole
SMILESC1=CC2=C(C3C=CC4=C(CCCC4)C3)CCC(C3CCC(C4=CC(C5CC=NC5)NC4)CC3)C2CC1
InChIInChI=1S/C34H46N2/c1-2-6-26-19-27(14-11-23(26)5-1)31-16-15-30(32-7-3-4-8-33(31)32)25-12-9-24(10-13-25)29-20-34(36-22-29)28-17-18-35-21-28/h4,8,11,14,18,20,24-25,27-28,30,32,34,36H,1-3,5-7,9-10,12-13,15-17,19,21-22H2
InChIKeyIBDHBYVSDYLNID-UHFFFAOYSA-N
MW482.76 g/mol
LogP7.90
Rot. Bonds4

About 2-(3,4-dihydro-2H-pyrrol-3-yl)-4-[4-[4-(1,2,5,6,7,8-hexahydronaphthalen-2-yl)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]cyclohexyl]-2,5-dihydro-1H-pyrrole

2-(3,4-dihydro-2H-pyrrol-3-yl)-4-[4-[4-(1,2,5,6,7,8-hexahydronaphthalen-2-yl)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]cyclohexyl]-2,5-dihydro-1H-pyrrole (PubChem CID 67951594) has the molecular formula C34H46N2 and a molecular weight of 482.76 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-pyrrol-3-yl)-4-[4-[4-(1,2,5,6,7,8-hexahydronaphthalen-2-yl)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]cyclohexyl]-2,5-dihydro-1H-pyrrole.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-pyrrol-3-yl)-4-[4-[4-(1,2,5,6,7,8-hexahydronaphthalen-2-yl)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]cyclohexyl]-2,5-dihydro-1H-pyrrole
PubChem CID67951594
Molecular FormulaC34H46N2
Molecular Weight482.76 g/mol
Exact Mass482.37
IUPAC Name2-(3,4-dihydro-2H-pyrrol-3-yl)-4-[4-[4-(1,2,5,6,7,8-hexahydronaphthalen-2-yl)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]cyclohexyl]-2,5-dihydro-1H-pyrrole
SMILESC1=CC2=C(C3C=CC4=C(CCCC4)C3)CCC(C3CCC(C4=CC(C5CC=NC5)NC4)CC3)C2CC1
InChIInChI=1S/C34H46N2/c1-2-6-26-19-27(14-11-23(26)5-1)31-16-15-30(32-7-3-4-8-33(31)32)25-12-9-24(10-13-25)29-20-34(36-22-29)28-17-18-35-21-28/h4,8,11,14,18,20,24-25,27-28,30,32,34,36H,1-3,5-7,9-10,12-13,15-17,19,21-22H2
InChIKeyIBDHBYVSDYLNID-UHFFFAOYSA-N
XLogP7.90
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.76
LogP ≤ 57.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(3,4-dihydro-2H-pyrrol-3-yl)-4-[4-[4-(1,2,5,6,7,8-hexahydronaphthalen-2-yl)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]cyclohexyl]-2,5-dihydro-1H-pyrrole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-pyrrol-3-yl)-4-[4-[4-(1,2,5,6,7,8-hexahydronaphthalen-2-yl)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]cyclohexyl]-2,5-dihydro-1H-pyrrole?
The IUPAC name of 2-(3,4-dihydro-2H-pyrrol-3-yl)-4-[4-[4-(1,2,5,6,7,8-hexahydronaphthalen-2-yl)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]cyclohexyl]-2,5-dihydro-1H-pyrrole (CID 67951594) is 2-(3,4-dihydro-2H-pyrrol-3-yl)-4-[4-[4-(1,2,5,6,7,8-hexahydronaphthalen-2-yl)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]cyclohexyl]-2,5-dihydro-1H-pyrrole.
What is the SMILES notation for 2-(3,4-dihydro-2H-pyrrol-3-yl)-4-[4-[4-(1,2,5,6,7,8-hexahydronaphthalen-2-yl)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]cyclohexyl]-2,5-dihydro-1H-pyrrole?
The canonical SMILES for 2-(3,4-dihydro-2H-pyrrol-3-yl)-4-[4-[4-(1,2,5,6,7,8-hexahydronaphthalen-2-yl)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]cyclohexyl]-2,5-dihydro-1H-pyrrole is C1=CC2=C(C3C=CC4=C(CCCC4)C3)CCC(C3CCC(C4=CC(C5CC=NC5)NC4)CC3)C2CC1.
What is the InChIKey of 2-(3,4-dihydro-2H-pyrrol-3-yl)-4-[4-[4-(1,2,5,6,7,8-hexahydronaphthalen-2-yl)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]cyclohexyl]-2,5-dihydro-1H-pyrrole?
The InChIKey is IBDHBYVSDYLNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H46N2/c1-2-6-26-19-27(14-11-23(26)5-1)31-16-15-30(32-7-3-4-8-33(31)32)25-12-9-24(10-13-25)29-20-34(36-22-29)28-17-18-35-21-28/h4,8,11,14,18,20,24-25,27-28,30,32,34,36H,1-3,5-7,9-10,12-13,15-17,19,21-22H2.
What are the key properties of 2-(3,4-dihydro-2H-pyrrol-3-yl)-4-[4-[4-(1,2,5,6,7,8-hexahydronaphthalen-2-yl)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]cyclohexyl]-2,5-dihydro-1H-pyrrole?
2-(3,4-dihydro-2H-pyrrol-3-yl)-4-[4-[4-(1,2,5,6,7,8-hexahydronaphthalen-2-yl)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]cyclohexyl]-2,5-dihydro-1H-pyrrole has a molecular weight of 482.76 g/mol, XLogP of 7.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-pyrrol-3-yl)-4-[4-[4-(1,2,5,6,7,8-hexahydronaphthalen-2-yl)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]cyclohexyl]-2,5-dihydro-1H-pyrrole is sourced from PubChem (CID 67951594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).