3,3-dimethylbutylidene(1H-indol-6-ylmethyl)phosphane

C15H20NP — CID 154691312

IUPAC3,3-dimethylbutylidene(1H-indol-6-ylmethyl)phosphane
SMILESCC(C)(C)C/C=P/Cc1ccc2cc[nH]c2c1
InChIInChI=1S/C15H20NP/c1-15(2,3)7-9-17-11-12-4-5-13-6-8-16-14(13)10-12/h4-6,8-10,16H,7,11H2,1-3H3
InChIKeyISEULWZLPZVMBH-UHFFFAOYSA-N
MW245.31 g/mol
LogP4.85
Rot. Bonds3

About 3,3-dimethylbutylidene(1H-indol-6-ylmethyl)phosphane

3,3-dimethylbutylidene(1H-indol-6-ylmethyl)phosphane (PubChem CID 154691312) has the molecular formula C15H20NP and a molecular weight of 245.31 g/mol. Its IUPAC name is 3,3-dimethylbutylidene(1H-indol-6-ylmethyl)phosphane.

Molecular Properties

Compound Name3,3-dimethylbutylidene(1H-indol-6-ylmethyl)phosphane
PubChem CID154691312
Molecular FormulaC15H20NP
Molecular Weight245.31 g/mol
Exact Mass245.13
IUPAC Name3,3-dimethylbutylidene(1H-indol-6-ylmethyl)phosphane
SMILESCC(C)(C)C/C=P/Cc1ccc2cc[nH]c2c1
InChIInChI=1S/C15H20NP/c1-15(2,3)7-9-17-11-12-4-5-13-6-8-16-14(13)10-12/h4-6,8-10,16H,7,11H2,1-3H3
InChIKeyISEULWZLPZVMBH-UHFFFAOYSA-N
XLogP4.85
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylbutylidene(1H-indol-6-ylmethyl)phosphane?
The IUPAC name of 3,3-dimethylbutylidene(1H-indol-6-ylmethyl)phosphane (CID 154691312) is 3,3-dimethylbutylidene(1H-indol-6-ylmethyl)phosphane.
What is the SMILES notation for 3,3-dimethylbutylidene(1H-indol-6-ylmethyl)phosphane?
The canonical SMILES for 3,3-dimethylbutylidene(1H-indol-6-ylmethyl)phosphane is CC(C)(C)C/C=P/Cc1ccc2cc[nH]c2c1.
What is the InChIKey of 3,3-dimethylbutylidene(1H-indol-6-ylmethyl)phosphane?
The InChIKey is ISEULWZLPZVMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20NP/c1-15(2,3)7-9-17-11-12-4-5-13-6-8-16-14(13)10-12/h4-6,8-10,16H,7,11H2,1-3H3.
What are the key properties of 3,3-dimethylbutylidene(1H-indol-6-ylmethyl)phosphane?
3,3-dimethylbutylidene(1H-indol-6-ylmethyl)phosphane has a molecular weight of 245.31 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylbutylidene(1H-indol-6-ylmethyl)phosphane is sourced from PubChem (CID 154691312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).