cyclopenta-1,3-dien-1-yloxy(imino)phosphane

C5H6NOP — CID 54070143

IUPACcyclopenta-1,3-dien-1-yloxy(imino)phosphane
SMILES[H]/N=P/OC1=CC=CC1
InChIInChI=1S/C5H6NOP/c6-8-7-5-3-1-2-4-5/h1-3,6H,4H2
InChIKeyLKRRXVLKFRGCIJ-UHFFFAOYSA-N
MW127.08 g/mol
LogP2.47
Rot. Bonds2

About cyclopenta-1,3-dien-1-yloxy(imino)phosphane

cyclopenta-1,3-dien-1-yloxy(imino)phosphane (PubChem CID 54070143) has the molecular formula C5H6NOP and a molecular weight of 127.08 g/mol. Its IUPAC name is cyclopenta-1,3-dien-1-yloxy(imino)phosphane.

Molecular Properties

Compound Namecyclopenta-1,3-dien-1-yloxy(imino)phosphane
PubChem CID54070143
Molecular FormulaC5H6NOP
Molecular Weight127.08 g/mol
Exact Mass127.02
IUPAC Namecyclopenta-1,3-dien-1-yloxy(imino)phosphane
SMILES[H]/N=P/OC1=CC=CC1
InChIInChI=1S/C5H6NOP/c6-8-7-5-3-1-2-4-5/h1-3,6H,4H2
InChIKeyLKRRXVLKFRGCIJ-UHFFFAOYSA-N
XLogP2.47
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.08
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-dien-1-yloxy(imino)phosphane?
The IUPAC name of cyclopenta-1,3-dien-1-yloxy(imino)phosphane (CID 54070143) is cyclopenta-1,3-dien-1-yloxy(imino)phosphane.
What is the SMILES notation for cyclopenta-1,3-dien-1-yloxy(imino)phosphane?
The canonical SMILES for cyclopenta-1,3-dien-1-yloxy(imino)phosphane is [H]/N=P/OC1=CC=CC1.
What is the InChIKey of cyclopenta-1,3-dien-1-yloxy(imino)phosphane?
The InChIKey is LKRRXVLKFRGCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6NOP/c6-8-7-5-3-1-2-4-5/h1-3,6H,4H2.
What are the key properties of cyclopenta-1,3-dien-1-yloxy(imino)phosphane?
cyclopenta-1,3-dien-1-yloxy(imino)phosphane has a molecular weight of 127.08 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-dien-1-yloxy(imino)phosphane is sourced from PubChem (CID 54070143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).