3-aminopropyl-dihydroxy-[(E)-oxan-2-ylidenemethyl]phosphanium

C9H19NO3P+ — CID 91929123

IUPAC3-aminopropyl-dihydroxy-[(E)-oxan-2-ylidenemethyl]phosphanium
SMILESNCCC[P+](O)(O)/C=C1\CCCCO1
InChIInChI=1S/C9H19NO3P/c10-5-3-7-14(11,12)8-9-4-1-2-6-13-9/h8,11-12H,1-7,10H2/q+1/b9-8+
InChIKeyMQRRAYDQFRXRIR-CMDGGOBGSA-N
MW220.23 g/mol
LogP1.21
Rot. Bonds4

About 3-aminopropyl-dihydroxy-[(E)-oxan-2-ylidenemethyl]phosphanium

3-aminopropyl-dihydroxy-[(E)-oxan-2-ylidenemethyl]phosphanium (PubChem CID 91929123) has the molecular formula C9H19NO3P+ and a molecular weight of 220.23 g/mol. Its IUPAC name is 3-aminopropyl-dihydroxy-[(E)-oxan-2-ylidenemethyl]phosphanium.

Molecular Properties

Compound Name3-aminopropyl-dihydroxy-[(E)-oxan-2-ylidenemethyl]phosphanium
PubChem CID91929123
Molecular FormulaC9H19NO3P+
Molecular Weight220.23 g/mol
Exact Mass220.11
IUPAC Name3-aminopropyl-dihydroxy-[(E)-oxan-2-ylidenemethyl]phosphanium
SMILESNCCC[P+](O)(O)/C=C1\CCCCO1
InChIInChI=1S/C9H19NO3P/c10-5-3-7-14(11,12)8-9-4-1-2-6-13-9/h8,11-12H,1-7,10H2/q+1/b9-8+
InChIKeyMQRRAYDQFRXRIR-CMDGGOBGSA-N
XLogP1.21
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-aminopropyl-dihydroxy-[(E)-oxan-2-ylidenemethyl]phosphanium?
The IUPAC name of 3-aminopropyl-dihydroxy-[(E)-oxan-2-ylidenemethyl]phosphanium (CID 91929123) is 3-aminopropyl-dihydroxy-[(E)-oxan-2-ylidenemethyl]phosphanium.
What is the SMILES notation for 3-aminopropyl-dihydroxy-[(E)-oxan-2-ylidenemethyl]phosphanium?
The canonical SMILES for 3-aminopropyl-dihydroxy-[(E)-oxan-2-ylidenemethyl]phosphanium is NCCC[P+](O)(O)/C=C1\CCCCO1.
What is the InChIKey of 3-aminopropyl-dihydroxy-[(E)-oxan-2-ylidenemethyl]phosphanium?
The InChIKey is MQRRAYDQFRXRIR-CMDGGOBGSA-N. The full InChI is InChI=1S/C9H19NO3P/c10-5-3-7-14(11,12)8-9-4-1-2-6-13-9/h8,11-12H,1-7,10H2/q+1/b9-8+.
What are the key properties of 3-aminopropyl-dihydroxy-[(E)-oxan-2-ylidenemethyl]phosphanium?
3-aminopropyl-dihydroxy-[(E)-oxan-2-ylidenemethyl]phosphanium has a molecular weight of 220.23 g/mol, XLogP of 1.21, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopropyl-dihydroxy-[(E)-oxan-2-ylidenemethyl]phosphanium is sourced from PubChem (CID 91929123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).