imino(iminophosphanyliminophosphanyl)phosphane;5-isocyanopentanenitrile;methane;(E)-pent-3-enenitrile

C12H21N6P3 — CID 159245450

IUPACimino(iminophosphanyliminophosphanyl)phosphane;5-isocyanopentanenitrile;methane;(E)-pent-3-enenitrile
SMILESC.C/C=C/CC#N.[C-]#[N+]CCCCC#N.[H]/N=P/N=P/P=N/[H]
InChIInChI=1S/C6H8N2.C5H7N.CH4.H2N3P3/c1-8-6-4-2-3-5-7;1-2-3-4-5-6;;1-4-3-6-5-2/h2-4,6H2;2-3H,4H2,1H3;1H4;1-2H/b;3-2+;;
InChIKeyKUPWUAXSYZVECO-KBJGQKKKSA-N
MW342.26 g/mol
LogP7.08
Rot. Bonds6

About imino(iminophosphanyliminophosphanyl)phosphane;5-isocyanopentanenitrile;methane;(E)-pent-3-enenitrile

imino(iminophosphanyliminophosphanyl)phosphane;5-isocyanopentanenitrile;methane;(E)-pent-3-enenitrile (PubChem CID 159245450) has the molecular formula C12H21N6P3 and a molecular weight of 342.26 g/mol. Its IUPAC name is imino(iminophosphanyliminophosphanyl)phosphane;5-isocyanopentanenitrile;methane;(E)-pent-3-enenitrile.

Molecular Properties

Compound Nameimino(iminophosphanyliminophosphanyl)phosphane;5-isocyanopentanenitrile;methane;(E)-pent-3-enenitrile
PubChem CID159245450
Molecular FormulaC12H21N6P3
Molecular Weight342.26 g/mol
Exact Mass342.10
IUPAC Nameimino(iminophosphanyliminophosphanyl)phosphane;5-isocyanopentanenitrile;methane;(E)-pent-3-enenitrile
SMILESC.C/C=C/CC#N.[C-]#[N+]CCCCC#N.[H]/N=P/N=P/P=N/[H]
InChIInChI=1S/C6H8N2.C5H7N.CH4.H2N3P3/c1-8-6-4-2-3-5-7;1-2-3-4-5-6;;1-4-3-6-5-2/h2-4,6H2;2-3H,4H2,1H3;1H4;1-2H/b;3-2+;;
InChIKeyKUPWUAXSYZVECO-KBJGQKKKSA-N
XLogP7.08
TPSA112.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.26
LogP ≤ 57.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

ethyl-(propylboranylidenehydrazinylidene)borane;imino(iminophosphanyliminophosphanyl)phosphane;imino-(iminophosphanyliminophosphanylphosphanylideneamino)phosphane;(E)-1-isocyanobut-2-ene;methane;2-methylbut-3-enenitrile;pent-4-enenitrile
CID 159233864
1-isocyanooctane;8-isocyanooctanenitrile
CID 161128912
pent-3-enenitrile
CID 158010428
(E)-tridec-11-enenitrile
CID 101282243
1-isocyano-4-methylbenzene;9-isocyanononanenitrile;5-isocyanopentanenitrile
CID 160656807
(6E,9E,12E)-tetradeca-6,9,12-trienenitrile
CID 101282565
4-[3-(3-isocyanopropoxy)-5-propoxyphenoxy]butanenitrile
CID 140704386
henicosanedinitrile
CID 87345062
(4E,6E,11E)-trideca-4,6,11-trienenitrile
CID 101282428
(E)-5-iminopent-3-enenitrile
CID 123602892
(E)-7-methyloct-5-enenitrile
CID 124660499
4-[4-[4-[bis(3-cyanopropyl)amino]-N-[4-[4-[bis(3-isocyanopropyl)amino]-N-[4-[bis(3-isocyanopropyl)amino]phenyl]anilino]phenyl]anilino]-N-(3-cyanopropyl)anilino]butanenitrile
CID 157079570

Frequently Asked Questions

What is the IUPAC name of imino(iminophosphanyliminophosphanyl)phosphane;5-isocyanopentanenitrile;methane;(E)-pent-3-enenitrile?
The IUPAC name of imino(iminophosphanyliminophosphanyl)phosphane;5-isocyanopentanenitrile;methane;(E)-pent-3-enenitrile (CID 159245450) is imino(iminophosphanyliminophosphanyl)phosphane;5-isocyanopentanenitrile;methane;(E)-pent-3-enenitrile.
What is the SMILES notation for imino(iminophosphanyliminophosphanyl)phosphane;5-isocyanopentanenitrile;methane;(E)-pent-3-enenitrile?
The canonical SMILES for imino(iminophosphanyliminophosphanyl)phosphane;5-isocyanopentanenitrile;methane;(E)-pent-3-enenitrile is C.C/C=C/CC#N.[C-]#[N+]CCCCC#N.[H]/N=P/N=P/P=N/[H].
What is the InChIKey of imino(iminophosphanyliminophosphanyl)phosphane;5-isocyanopentanenitrile;methane;(E)-pent-3-enenitrile?
The InChIKey is KUPWUAXSYZVECO-KBJGQKKKSA-N. The full InChI is InChI=1S/C6H8N2.C5H7N.CH4.H2N3P3/c1-8-6-4-2-3-5-7;1-2-3-4-5-6;;1-4-3-6-5-2/h2-4,6H2;2-3H,4H2,1H3;1H4;1-2H/b;3-2+;;.
What are the key properties of imino(iminophosphanyliminophosphanyl)phosphane;5-isocyanopentanenitrile;methane;(E)-pent-3-enenitrile?
imino(iminophosphanyliminophosphanyl)phosphane;5-isocyanopentanenitrile;methane;(E)-pent-3-enenitrile has a molecular weight of 342.26 g/mol, XLogP of 7.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for imino(iminophosphanyliminophosphanyl)phosphane;5-isocyanopentanenitrile;methane;(E)-pent-3-enenitrile is sourced from PubChem (CID 159245450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).