tert-butyl-(1-tert-butylpyrrol-3-yl)-cyclopentylphosphane

C17H30NP — CID 140767989

IUPACtert-butyl-(1-tert-butylpyrrol-3-yl)-cyclopentylphosphane
SMILESCC(C)(C)n1ccc(P(C2CCCC2)C(C)(C)C)c1
InChIInChI=1S/C17H30NP/c1-16(2,3)18-12-11-15(13-18)19(17(4,5)6)14-9-7-8-10-14/h11-14H,7-10H2,1-6H3
InChIKeyNSRQWPWYRSNRCI-UHFFFAOYSA-N
MW279.41 g/mol
LogP5.09
Rot. Bonds2

About tert-butyl-(1-tert-butylpyrrol-3-yl)-cyclopentylphosphane

tert-butyl-(1-tert-butylpyrrol-3-yl)-cyclopentylphosphane (PubChem CID 140767989) has the molecular formula C17H30NP and a molecular weight of 279.41 g/mol. Its IUPAC name is tert-butyl-(1-tert-butylpyrrol-3-yl)-cyclopentylphosphane.

Molecular Properties

Compound Nametert-butyl-(1-tert-butylpyrrol-3-yl)-cyclopentylphosphane
PubChem CID140767989
Molecular FormulaC17H30NP
Molecular Weight279.41 g/mol
Exact Mass279.21
IUPAC Nametert-butyl-(1-tert-butylpyrrol-3-yl)-cyclopentylphosphane
SMILESCC(C)(C)n1ccc(P(C2CCCC2)C(C)(C)C)c1
InChIInChI=1S/C17H30NP/c1-16(2,3)18-12-11-15(13-18)19(17(4,5)6)14-9-7-8-10-14/h11-14H,7-10H2,1-6H3
InChIKeyNSRQWPWYRSNRCI-UHFFFAOYSA-N
XLogP5.09
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.41
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-(1-tert-butylpyrrol-3-yl)-cyclopentylphosphane?
The IUPAC name of tert-butyl-(1-tert-butylpyrrol-3-yl)-cyclopentylphosphane (CID 140767989) is tert-butyl-(1-tert-butylpyrrol-3-yl)-cyclopentylphosphane.
What is the SMILES notation for tert-butyl-(1-tert-butylpyrrol-3-yl)-cyclopentylphosphane?
The canonical SMILES for tert-butyl-(1-tert-butylpyrrol-3-yl)-cyclopentylphosphane is CC(C)(C)n1ccc(P(C2CCCC2)C(C)(C)C)c1.
What is the InChIKey of tert-butyl-(1-tert-butylpyrrol-3-yl)-cyclopentylphosphane?
The InChIKey is NSRQWPWYRSNRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30NP/c1-16(2,3)18-12-11-15(13-18)19(17(4,5)6)14-9-7-8-10-14/h11-14H,7-10H2,1-6H3.
What are the key properties of tert-butyl-(1-tert-butylpyrrol-3-yl)-cyclopentylphosphane?
tert-butyl-(1-tert-butylpyrrol-3-yl)-cyclopentylphosphane has a molecular weight of 279.41 g/mol, XLogP of 5.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(1-tert-butylpyrrol-3-yl)-cyclopentylphosphane is sourced from PubChem (CID 140767989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).