2-(tripropyl-λ5-phosphanylidene)acetonitrile

C11H22NP — CID 139776356

IUPAC2-(tripropyl-λ5-phosphanylidene)acetonitrile
SMILESCCCP(=CC#N)(CCC)CCC
InChIInChI=1S/C11H22NP/c1-4-8-13(9-5-2,10-6-3)11-7-12/h11H,4-6,8-10H2,1-3H3
InChIKeyZZNUNYCQSMJNFN-UHFFFAOYSA-N
MW199.28 g/mol
LogP3.56
Rot. Bonds6

About 2-(tripropyl-λ5-phosphanylidene)acetonitrile

2-(tripropyl-λ5-phosphanylidene)acetonitrile (PubChem CID 139776356) has the molecular formula C11H22NP and a molecular weight of 199.28 g/mol. Its IUPAC name is 2-(tripropyl-λ5-phosphanylidene)acetonitrile.

Molecular Properties

Compound Name2-(tripropyl-λ5-phosphanylidene)acetonitrile
PubChem CID139776356
Molecular FormulaC11H22NP
Molecular Weight199.28 g/mol
Exact Mass199.15
IUPAC Name2-(tripropyl-λ5-phosphanylidene)acetonitrile
SMILESCCCP(=CC#N)(CCC)CCC
InChIInChI=1S/C11H22NP/c1-4-8-13(9-5-2,10-6-3)11-7-12/h11H,4-6,8-10H2,1-3H3
InChIKeyZZNUNYCQSMJNFN-UHFFFAOYSA-N
XLogP3.56
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(tributyl-λ5-phosphanylidene)acetonitrile
CID 158192317
ethylphosphanium;tetracyanoboranuide
CID 90426635
dibutylphosphorylformonitrile
CID 23514201
3-[prop-2-enyl(propyl)phosphoryl]propanenitrile
CID 164992982
butane;propanenitrile
CID 174979809
3-[2-[3-[2-[bis(2-cyanoethyl)phosphoryl]ethyl-(2-cyanoethyl)phosphoryl]propyl-(2-cyanoethyl)phosphoryl]ethyl-propylphosphoryl]propanenitrile
CID 164992986
cyano(triethyl)boranuide
CID 15150971
butane;oxotin;hydrate
CID 174908567
tetrapropylazanium thiocyanate
CID 19875508
(E)-undec-2-enenitrile
CID 6538104
(2E,8E)-tetradeca-2,8-dienenitrile
CID 129206648
butanenitrile;ethane
CID 91457061

Frequently Asked Questions

What is the IUPAC name of 2-(tripropyl-λ5-phosphanylidene)acetonitrile?
The IUPAC name of 2-(tripropyl-λ5-phosphanylidene)acetonitrile (CID 139776356) is 2-(tripropyl-λ5-phosphanylidene)acetonitrile.
What is the SMILES notation for 2-(tripropyl-λ5-phosphanylidene)acetonitrile?
The canonical SMILES for 2-(tripropyl-λ5-phosphanylidene)acetonitrile is CCCP(=CC#N)(CCC)CCC.
What is the InChIKey of 2-(tripropyl-λ5-phosphanylidene)acetonitrile?
The InChIKey is ZZNUNYCQSMJNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22NP/c1-4-8-13(9-5-2,10-6-3)11-7-12/h11H,4-6,8-10H2,1-3H3.
What are the key properties of 2-(tripropyl-λ5-phosphanylidene)acetonitrile?
2-(tripropyl-λ5-phosphanylidene)acetonitrile has a molecular weight of 199.28 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tripropyl-λ5-phosphanylidene)acetonitrile is sourced from PubChem (CID 139776356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).