methyl-(2-methyl-5-propan-2-yl-2H-pyrrol-4-yl)phosphane

C9H16NP — CID 155122755

IUPACmethyl-(2-methyl-5-propan-2-yl-2H-pyrrol-4-yl)phosphane
SMILESCPC1=CC(C)N=C1C(C)C
InChIInChI=1S/C9H16NP/c1-6(2)9-8(11-4)5-7(3)10-9/h5-7,11H,1-4H3
InChIKeyKATYFUNSHLAHOO-UHFFFAOYSA-N
MW169.21 g/mol
LogP2.68
Rot. Bonds2

About methyl-(2-methyl-5-propan-2-yl-2H-pyrrol-4-yl)phosphane

methyl-(2-methyl-5-propan-2-yl-2H-pyrrol-4-yl)phosphane (PubChem CID 155122755) has the molecular formula C9H16NP and a molecular weight of 169.21 g/mol. Its IUPAC name is methyl-(2-methyl-5-propan-2-yl-2H-pyrrol-4-yl)phosphane.

Molecular Properties

Compound Namemethyl-(2-methyl-5-propan-2-yl-2H-pyrrol-4-yl)phosphane
PubChem CID155122755
Molecular FormulaC9H16NP
Molecular Weight169.21 g/mol
Exact Mass169.10
IUPAC Namemethyl-(2-methyl-5-propan-2-yl-2H-pyrrol-4-yl)phosphane
SMILESCPC1=CC(C)N=C1C(C)C
InChIInChI=1S/C9H16NP/c1-6(2)9-8(11-4)5-7(3)10-9/h5-7,11H,1-4H3
InChIKeyKATYFUNSHLAHOO-UHFFFAOYSA-N
XLogP2.68
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.21
LogP ≤ 52.68
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 methyl-(2-methyl-5-propan-2-yl-2H-pyrrol-4-yl)phosphane?
The IUPAC name of methyl-(2-methyl-5-propan-2-yl-2H-pyrrol-4-yl)phosphane (CID 155122755) is methyl-(2-methyl-5-propan-2-yl-2H-pyrrol-4-yl)phosphane.
What is the SMILES notation for methyl-(2-methyl-5-propan-2-yl-2H-pyrrol-4-yl)phosphane?
The canonical SMILES for methyl-(2-methyl-5-propan-2-yl-2H-pyrrol-4-yl)phosphane is CPC1=CC(C)N=C1C(C)C.
What is the InChIKey of methyl-(2-methyl-5-propan-2-yl-2H-pyrrol-4-yl)phosphane?
The InChIKey is KATYFUNSHLAHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16NP/c1-6(2)9-8(11-4)5-7(3)10-9/h5-7,11H,1-4H3.
What are the key properties of methyl-(2-methyl-5-propan-2-yl-2H-pyrrol-4-yl)phosphane?
methyl-(2-methyl-5-propan-2-yl-2H-pyrrol-4-yl)phosphane has a molecular weight of 169.21 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(2-methyl-5-propan-2-yl-2H-pyrrol-4-yl)phosphane is sourced from PubChem (CID 155122755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).