4-[3-[4-[4-methyl-4-(5-propan-2-yl-2,3-dihydropyrrol-1-yl)pentan-2-yl]-2,3-dihydropyrrol-1-yl]butan-2-yl]-1,2-di(propan-2-yl)-2,5-dihydropyrrole

C31H55N3 — CID 130305459

IUPAC4-[3-[4-[4-methyl-4-(5-propan-2-yl-2,3-dihydropyrrol-1-yl)pentan-2-yl]-2,3-dihydropyrrol-1-yl]butan-2-yl]-1,2-di(propan-2-yl)-2,5-dihydropyrrole
SMILESCC(C)C1=CCCN1C(C)(C)CC(C)C1=CN(C(C)C(C)C2=CC(C(C)C)N(C(C)C)C2)CC1
InChIInChI=1S/C31H55N3/c1-21(2)29-13-12-15-34(29)31(10,11)18-24(7)27-14-16-32(19-27)26(9)25(8)28-17-30(22(3)4)33(20-28)23(5)6/h13,17,19,21-26,30H,12,14-16,18,20H2,1-11H3
InChIKeyXGVYNUBSHXGMPN-UHFFFAOYSA-N
MW469.80 g/mol
LogP7.33
Rot. Bonds10

About 4-[3-[4-[4-methyl-4-(5-propan-2-yl-2,3-dihydropyrrol-1-yl)pentan-2-yl]-2,3-dihydropyrrol-1-yl]butan-2-yl]-1,2-di(propan-2-yl)-2,5-dihydropyrrole

4-[3-[4-[4-methyl-4-(5-propan-2-yl-2,3-dihydropyrrol-1-yl)pentan-2-yl]-2,3-dihydropyrrol-1-yl]butan-2-yl]-1,2-di(propan-2-yl)-2,5-dihydropyrrole (PubChem CID 130305459) has the molecular formula C31H55N3 and a molecular weight of 469.80 g/mol. Its IUPAC name is 4-[3-[4-[4-methyl-4-(5-propan-2-yl-2,3-dihydropyrrol-1-yl)pentan-2-yl]-2,3-dihydropyrrol-1-yl]butan-2-yl]-1,2-di(propan-2-yl)-2,5-dihydropyrrole.

Molecular Properties

Compound Name4-[3-[4-[4-methyl-4-(5-propan-2-yl-2,3-dihydropyrrol-1-yl)pentan-2-yl]-2,3-dihydropyrrol-1-yl]butan-2-yl]-1,2-di(propan-2-yl)-2,5-dihydropyrrole
PubChem CID130305459
Molecular FormulaC31H55N3
Molecular Weight469.80 g/mol
Exact Mass469.44
IUPAC Name4-[3-[4-[4-methyl-4-(5-propan-2-yl-2,3-dihydropyrrol-1-yl)pentan-2-yl]-2,3-dihydropyrrol-1-yl]butan-2-yl]-1,2-di(propan-2-yl)-2,5-dihydropyrrole
SMILESCC(C)C1=CCCN1C(C)(C)CC(C)C1=CN(C(C)C(C)C2=CC(C(C)C)N(C(C)C)C2)CC1
InChIInChI=1S/C31H55N3/c1-21(2)29-13-12-15-34(29)31(10,11)18-24(7)27-14-16-32(19-27)26(9)25(8)28-17-30(22(3)4)33(20-28)23(5)6/h13,17,19,21-26,30H,12,14-16,18,20H2,1-11H3
InChIKeyXGVYNUBSHXGMPN-UHFFFAOYSA-N
XLogP7.33
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.80
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-[4-methyl-4-(5-propan-2-yl-2,3-dihydropyrrol-1-yl)pentan-2-yl]-2,3-dihydropyrrol-1-yl]butan-2-yl]-1,2-di(propan-2-yl)-2,5-dihydropyrrole?
The IUPAC name of 4-[3-[4-[4-methyl-4-(5-propan-2-yl-2,3-dihydropyrrol-1-yl)pentan-2-yl]-2,3-dihydropyrrol-1-yl]butan-2-yl]-1,2-di(propan-2-yl)-2,5-dihydropyrrole (CID 130305459) is 4-[3-[4-[4-methyl-4-(5-propan-2-yl-2,3-dihydropyrrol-1-yl)pentan-2-yl]-2,3-dihydropyrrol-1-yl]butan-2-yl]-1,2-di(propan-2-yl)-2,5-dihydropyrrole.
What is the SMILES notation for 4-[3-[4-[4-methyl-4-(5-propan-2-yl-2,3-dihydropyrrol-1-yl)pentan-2-yl]-2,3-dihydropyrrol-1-yl]butan-2-yl]-1,2-di(propan-2-yl)-2,5-dihydropyrrole?
The canonical SMILES for 4-[3-[4-[4-methyl-4-(5-propan-2-yl-2,3-dihydropyrrol-1-yl)pentan-2-yl]-2,3-dihydropyrrol-1-yl]butan-2-yl]-1,2-di(propan-2-yl)-2,5-dihydropyrrole is CC(C)C1=CCCN1C(C)(C)CC(C)C1=CN(C(C)C(C)C2=CC(C(C)C)N(C(C)C)C2)CC1.
What is the InChIKey of 4-[3-[4-[4-methyl-4-(5-propan-2-yl-2,3-dihydropyrrol-1-yl)pentan-2-yl]-2,3-dihydropyrrol-1-yl]butan-2-yl]-1,2-di(propan-2-yl)-2,5-dihydropyrrole?
The InChIKey is XGVYNUBSHXGMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H55N3/c1-21(2)29-13-12-15-34(29)31(10,11)18-24(7)27-14-16-32(19-27)26(9)25(8)28-17-30(22(3)4)33(20-28)23(5)6/h13,17,19,21-26,30H,12,14-16,18,20H2,1-11H3.
What are the key properties of 4-[3-[4-[4-methyl-4-(5-propan-2-yl-2,3-dihydropyrrol-1-yl)pentan-2-yl]-2,3-dihydropyrrol-1-yl]butan-2-yl]-1,2-di(propan-2-yl)-2,5-dihydropyrrole?
4-[3-[4-[4-methyl-4-(5-propan-2-yl-2,3-dihydropyrrol-1-yl)pentan-2-yl]-2,3-dihydropyrrol-1-yl]butan-2-yl]-1,2-di(propan-2-yl)-2,5-dihydropyrrole has a molecular weight of 469.80 g/mol, XLogP of 7.33, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-[4-methyl-4-(5-propan-2-yl-2,3-dihydropyrrol-1-yl)pentan-2-yl]-2,3-dihydropyrrol-1-yl]butan-2-yl]-1,2-di(propan-2-yl)-2,5-dihydropyrrole is sourced from PubChem (CID 130305459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).