ethylidene-[3-[(Z)-prop-1-enyl]-1H-pyrrol-2-yl]phosphane

C9H12NP — CID 139406160

IUPACethylidene-[3-[(Z)-prop-1-enyl]-1H-pyrrol-2-yl]phosphane
SMILESC/C=C\c1cc[nH]c1/P=C/C
InChIInChI=1S/C9H12NP/c1-3-5-8-6-7-10-9(8)11-4-2/h3-7,10H,1-2H3/b5-3-
InChIKeyNYJZPNGZXFOPMY-HYXAFXHYSA-N
MW165.18 g/mol
LogP2.44
Rot. Bonds2

About ethylidene-[3-[(Z)-prop-1-enyl]-1H-pyrrol-2-yl]phosphane

ethylidene-[3-[(Z)-prop-1-enyl]-1H-pyrrol-2-yl]phosphane (PubChem CID 139406160) has the molecular formula C9H12NP and a molecular weight of 165.18 g/mol. Its IUPAC name is ethylidene-[3-[(Z)-prop-1-enyl]-1H-pyrrol-2-yl]phosphane.

Molecular Properties

Compound Nameethylidene-[3-[(Z)-prop-1-enyl]-1H-pyrrol-2-yl]phosphane
PubChem CID139406160
Molecular FormulaC9H12NP
Molecular Weight165.18 g/mol
Exact Mass165.07
IUPAC Nameethylidene-[3-[(Z)-prop-1-enyl]-1H-pyrrol-2-yl]phosphane
SMILESC/C=C\c1cc[nH]c1/P=C/C
InChIInChI=1S/C9H12NP/c1-3-5-8-6-7-10-9(8)11-4-2/h3-7,10H,1-2H3/b5-3-
InChIKeyNYJZPNGZXFOPMY-HYXAFXHYSA-N
XLogP2.44
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.18
LogP ≤ 52.44
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 ethylidene-[3-[(Z)-prop-1-enyl]-1H-pyrrol-2-yl]phosphane?
The IUPAC name of ethylidene-[3-[(Z)-prop-1-enyl]-1H-pyrrol-2-yl]phosphane (CID 139406160) is ethylidene-[3-[(Z)-prop-1-enyl]-1H-pyrrol-2-yl]phosphane.
What is the SMILES notation for ethylidene-[3-[(Z)-prop-1-enyl]-1H-pyrrol-2-yl]phosphane?
The canonical SMILES for ethylidene-[3-[(Z)-prop-1-enyl]-1H-pyrrol-2-yl]phosphane is C/C=C\c1cc[nH]c1/P=C/C.
What is the InChIKey of ethylidene-[3-[(Z)-prop-1-enyl]-1H-pyrrol-2-yl]phosphane?
The InChIKey is NYJZPNGZXFOPMY-HYXAFXHYSA-N. The full InChI is InChI=1S/C9H12NP/c1-3-5-8-6-7-10-9(8)11-4-2/h3-7,10H,1-2H3/b5-3-.
What are the key properties of ethylidene-[3-[(Z)-prop-1-enyl]-1H-pyrrol-2-yl]phosphane?
ethylidene-[3-[(Z)-prop-1-enyl]-1H-pyrrol-2-yl]phosphane has a molecular weight of 165.18 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethylidene-[3-[(Z)-prop-1-enyl]-1H-pyrrol-2-yl]phosphane is sourced from PubChem (CID 139406160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).