ethane;[4-[(Z)-1-nitroprop-1-en-2-yl]piperazin-1-yl]phosphane

C9H20N3O2P — CID 123820766

IUPACethane;[4-[(Z)-1-nitroprop-1-en-2-yl]piperazin-1-yl]phosphane
SMILESC/C(=C/[N+](=O)[O-])N1CCN(P)CC1.CC
InChIInChI=1S/C7H14N3O2P.C2H6/c1-7(6-10(11)12)8-2-4-9(13)5-3-8;1-2/h6H,2-5,13H2,1H3;1-2H3/b7-6-;
InChIKeyLKTKGGGYSZLZKY-NAFXZHHSSA-N
MW233.25 g/mol
LogP1.56
Rot. Bonds2

About ethane;[4-[(Z)-1-nitroprop-1-en-2-yl]piperazin-1-yl]phosphane

ethane;[4-[(Z)-1-nitroprop-1-en-2-yl]piperazin-1-yl]phosphane (PubChem CID 123820766) has the molecular formula C9H20N3O2P and a molecular weight of 233.25 g/mol. Its IUPAC name is ethane;[4-[(Z)-1-nitroprop-1-en-2-yl]piperazin-1-yl]phosphane.

Molecular Properties

Compound Nameethane;[4-[(Z)-1-nitroprop-1-en-2-yl]piperazin-1-yl]phosphane
PubChem CID123820766
Molecular FormulaC9H20N3O2P
Molecular Weight233.25 g/mol
Exact Mass233.13
IUPAC Nameethane;[4-[(Z)-1-nitroprop-1-en-2-yl]piperazin-1-yl]phosphane
SMILESC/C(=C/[N+](=O)[O-])N1CCN(P)CC1.CC
InChIInChI=1S/C7H14N3O2P.C2H6/c1-7(6-10(11)12)8-2-4-9(13)5-3-8;1-2/h6H,2-5,13H2,1H3;1-2H3/b7-6-;
InChIKeyLKTKGGGYSZLZKY-NAFXZHHSSA-N
XLogP1.56
TPSA49.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;[4-[(Z)-1-nitroprop-1-en-2-yl]piperazin-1-yl]phosphane?
The IUPAC name of ethane;[4-[(Z)-1-nitroprop-1-en-2-yl]piperazin-1-yl]phosphane (CID 123820766) is ethane;[4-[(Z)-1-nitroprop-1-en-2-yl]piperazin-1-yl]phosphane.
What is the SMILES notation for ethane;[4-[(Z)-1-nitroprop-1-en-2-yl]piperazin-1-yl]phosphane?
The canonical SMILES for ethane;[4-[(Z)-1-nitroprop-1-en-2-yl]piperazin-1-yl]phosphane is C/C(=C/[N+](=O)[O-])N1CCN(P)CC1.CC.
What is the InChIKey of ethane;[4-[(Z)-1-nitroprop-1-en-2-yl]piperazin-1-yl]phosphane?
The InChIKey is LKTKGGGYSZLZKY-NAFXZHHSSA-N. The full InChI is InChI=1S/C7H14N3O2P.C2H6/c1-7(6-10(11)12)8-2-4-9(13)5-3-8;1-2/h6H,2-5,13H2,1H3;1-2H3/b7-6-;.
What are the key properties of ethane;[4-[(Z)-1-nitroprop-1-en-2-yl]piperazin-1-yl]phosphane?
ethane;[4-[(Z)-1-nitroprop-1-en-2-yl]piperazin-1-yl]phosphane has a molecular weight of 233.25 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[4-[(Z)-1-nitroprop-1-en-2-yl]piperazin-1-yl]phosphane is sourced from PubChem (CID 123820766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).