trimethyl-[C-methyl-N-[(Z)-prop-1-enyl]carbonimidoyl]phosphanium

C8H17NP+ — CID 170257532

IUPACtrimethyl-[C-methyl-N-[(Z)-prop-1-enyl]carbonimidoyl]phosphanium
SMILESC/C=C\N=C(/C)[P+](C)(C)C
InChIInChI=1S/C8H17NP/c1-6-7-9-8(2)10(3,4)5/h6-7H,1-5H3/q+1/b7-6-,9-8+
InChIKeyRCRRAQZTBAWRLD-NMMTYZSQSA-N
MW158.21 g/mol
LogP2.85
Rot. Bonds2

About trimethyl-[C-methyl-N-[(Z)-prop-1-enyl]carbonimidoyl]phosphanium

trimethyl-[C-methyl-N-[(Z)-prop-1-enyl]carbonimidoyl]phosphanium (PubChem CID 170257532) has the molecular formula C8H17NP+ and a molecular weight of 158.21 g/mol. Its IUPAC name is trimethyl-[C-methyl-N-[(Z)-prop-1-enyl]carbonimidoyl]phosphanium.

Molecular Properties

Compound Nametrimethyl-[C-methyl-N-[(Z)-prop-1-enyl]carbonimidoyl]phosphanium
PubChem CID170257532
Molecular FormulaC8H17NP+
Molecular Weight158.21 g/mol
Exact Mass158.11
IUPAC Nametrimethyl-[C-methyl-N-[(Z)-prop-1-enyl]carbonimidoyl]phosphanium
SMILESC/C=C\N=C(/C)[P+](C)(C)C
InChIInChI=1S/C8H17NP/c1-6-7-9-8(2)10(3,4)5/h6-7H,1-5H3/q+1/b7-6-,9-8+
InChIKeyRCRRAQZTBAWRLD-NMMTYZSQSA-N
XLogP2.85
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.21
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[C-methyl-N-[(Z)-prop-1-enyl]carbonimidoyl]phosphanium?
The IUPAC name of trimethyl-[C-methyl-N-[(Z)-prop-1-enyl]carbonimidoyl]phosphanium (CID 170257532) is trimethyl-[C-methyl-N-[(Z)-prop-1-enyl]carbonimidoyl]phosphanium.
What is the SMILES notation for trimethyl-[C-methyl-N-[(Z)-prop-1-enyl]carbonimidoyl]phosphanium?
The canonical SMILES for trimethyl-[C-methyl-N-[(Z)-prop-1-enyl]carbonimidoyl]phosphanium is C/C=C\N=C(/C)[P+](C)(C)C.
What is the InChIKey of trimethyl-[C-methyl-N-[(Z)-prop-1-enyl]carbonimidoyl]phosphanium?
The InChIKey is RCRRAQZTBAWRLD-NMMTYZSQSA-N. The full InChI is InChI=1S/C8H17NP/c1-6-7-9-8(2)10(3,4)5/h6-7H,1-5H3/q+1/b7-6-,9-8+.
What are the key properties of trimethyl-[C-methyl-N-[(Z)-prop-1-enyl]carbonimidoyl]phosphanium?
trimethyl-[C-methyl-N-[(Z)-prop-1-enyl]carbonimidoyl]phosphanium has a molecular weight of 158.21 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[C-methyl-N-[(Z)-prop-1-enyl]carbonimidoyl]phosphanium is sourced from PubChem (CID 170257532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).