amino-dichloro-[5-(2,5-dioxopyrrol-1-yl)pentylcarbamoyloxy]phosphanium

C10H15Cl2N3O4P+ — CID 139293013

IUPACamino-dichloro-[5-(2,5-dioxopyrrol-1-yl)pentylcarbamoyloxy]phosphanium
SMILESN[P+](Cl)(Cl)OC(=O)NCCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C10H14Cl2N3O4P/c11-20(12,13)19-10(18)14-6-2-1-3-7-15-8(16)4-5-9(15)17/h4-5H,1-3,6-7,13H2/p+1
InChIKeyNEEIUVQFOQGPKG-UHFFFAOYSA-O
MW343.13 g/mol
LogP1.92
Rot. Bonds7

About amino-dichloro-[5-(2,5-dioxopyrrol-1-yl)pentylcarbamoyloxy]phosphanium

amino-dichloro-[5-(2,5-dioxopyrrol-1-yl)pentylcarbamoyloxy]phosphanium (PubChem CID 139293013) has the molecular formula C10H15Cl2N3O4P+ and a molecular weight of 343.13 g/mol. Its IUPAC name is amino-dichloro-[5-(2,5-dioxopyrrol-1-yl)pentylcarbamoyloxy]phosphanium.

Molecular Properties

Compound Nameamino-dichloro-[5-(2,5-dioxopyrrol-1-yl)pentylcarbamoyloxy]phosphanium
PubChem CID139293013
Molecular FormulaC10H15Cl2N3O4P+
Molecular Weight343.13 g/mol
Exact Mass342.02
IUPAC Nameamino-dichloro-[5-(2,5-dioxopyrrol-1-yl)pentylcarbamoyloxy]phosphanium
SMILESN[P+](Cl)(Cl)OC(=O)NCCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C10H14Cl2N3O4P/c11-20(12,13)19-10(18)14-6-2-1-3-7-15-8(16)4-5-9(15)17/h4-5H,1-3,6-7,13H2/p+1
InChIKeyNEEIUVQFOQGPKG-UHFFFAOYSA-O
XLogP1.92
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.13
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

acetyloxy-amino-chloro-[5-(2,5-dioxopyrrol-1-yl)pentylcarbamoyloxy]phosphanium
CID 134402316
[diamino(chloro)methyl] N-[5-(2,5-dioxopyrrol-1-yl)pentyl]carbamate
CID 145219096
2-[3,5-bis[2-[5-(2,5-dioxopyrrol-1-yl)pentylcarbamoyloxy]ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl N-[5-(2,5-dioxopyrrol-1-yl)pentyl]carbamate
CID 58986528
6-(2,5-dioxopyrrol-1-yl)hexylcarbamic acid
CID 90457556
2-[3-[2-[5-(2,5-dioxopyrrol-1-yl)pentylcarbamoyloxy]ethyl]-5-(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl N-[5-(2,5-dioxopyrrol-1-yl)pentyl]carbamate;methane
CID 159484144
N-[6-(2,5-dioxopyrrol-1-yl)hexyl]pyrrolidine-1-carboxamide
CID 121327450
4-(2,5-dioxopyrrol-1-yl)-N-hexylbutanamide
CID 90175962
6-[6-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]hexanoylamino]-N-ethylhexanamide
CID 18724284
6-[6-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]hexanoylamino]-N-methylhexanamide
CID 20719178
10-(2,5-dioxopyrrol-1-yl)decanamide
CID 134211555
2-amino-6-(2,5-dioxopyrrol-1-yl)-N-[5-(hexylamino)-5-oxopentyl]hexanamide;ethane
CID 142928631
3-(2,5-dioxopyrrol-1-yl)propyl carbonochloridate
CID 153373502

Frequently Asked Questions

What is the IUPAC name of amino-dichloro-[5-(2,5-dioxopyrrol-1-yl)pentylcarbamoyloxy]phosphanium?
The IUPAC name of amino-dichloro-[5-(2,5-dioxopyrrol-1-yl)pentylcarbamoyloxy]phosphanium (CID 139293013) is amino-dichloro-[5-(2,5-dioxopyrrol-1-yl)pentylcarbamoyloxy]phosphanium.
What is the SMILES notation for amino-dichloro-[5-(2,5-dioxopyrrol-1-yl)pentylcarbamoyloxy]phosphanium?
The canonical SMILES for amino-dichloro-[5-(2,5-dioxopyrrol-1-yl)pentylcarbamoyloxy]phosphanium is N[P+](Cl)(Cl)OC(=O)NCCCCCN1C(=O)C=CC1=O.
What is the InChIKey of amino-dichloro-[5-(2,5-dioxopyrrol-1-yl)pentylcarbamoyloxy]phosphanium?
The InChIKey is NEEIUVQFOQGPKG-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H14Cl2N3O4P/c11-20(12,13)19-10(18)14-6-2-1-3-7-15-8(16)4-5-9(15)17/h4-5H,1-3,6-7,13H2/p+1.
What are the key properties of amino-dichloro-[5-(2,5-dioxopyrrol-1-yl)pentylcarbamoyloxy]phosphanium?
amino-dichloro-[5-(2,5-dioxopyrrol-1-yl)pentylcarbamoyloxy]phosphanium has a molecular weight of 343.13 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for amino-dichloro-[5-(2,5-dioxopyrrol-1-yl)pentylcarbamoyloxy]phosphanium is sourced from PubChem (CID 139293013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).