[(3S)-3-[(1R)-1-methoxyethyl]pyrrolidin-1-yl]phosphane

C7H16NOP — CID 59543998

IUPAC[(3S)-3-[(1R)-1-methoxyethyl]pyrrolidin-1-yl]phosphane
SMILESCO[C@H](C)[C@H]1CCN(P)C1
InChIInChI=1S/C7H16NOP/c1-6(9-2)7-3-4-8(10)5-7/h6-7H,3-5,10H2,1-2H3/t6-,7+/m1/s1
InChIKeyMULMFKYSEKAXLR-RQJHMYQMSA-N
MW161.19 g/mol
LogP1.13
Rot. Bonds2

About [(3S)-3-[(1R)-1-methoxyethyl]pyrrolidin-1-yl]phosphane

[(3S)-3-[(1R)-1-methoxyethyl]pyrrolidin-1-yl]phosphane (PubChem CID 59543998) has the molecular formula C7H16NOP and a molecular weight of 161.19 g/mol. Its IUPAC name is [(3S)-3-[(1R)-1-methoxyethyl]pyrrolidin-1-yl]phosphane.

Molecular Properties

Compound Name[(3S)-3-[(1R)-1-methoxyethyl]pyrrolidin-1-yl]phosphane
PubChem CID59543998
Molecular FormulaC7H16NOP
Molecular Weight161.19 g/mol
Exact Mass161.10
IUPAC Name[(3S)-3-[(1R)-1-methoxyethyl]pyrrolidin-1-yl]phosphane
SMILESCO[C@H](C)[C@H]1CCN(P)C1
InChIInChI=1S/C7H16NOP/c1-6(9-2)7-3-4-8(10)5-7/h6-7H,3-5,10H2,1-2H3/t6-,7+/m1/s1
InChIKeyMULMFKYSEKAXLR-RQJHMYQMSA-N
XLogP1.13
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.19
LogP ≤ 51.13
H-Bond Donors ≤ 50
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 [(3S)-3-[(1R)-1-methoxyethyl]pyrrolidin-1-yl]phosphane?
The IUPAC name of [(3S)-3-[(1R)-1-methoxyethyl]pyrrolidin-1-yl]phosphane (CID 59543998) is [(3S)-3-[(1R)-1-methoxyethyl]pyrrolidin-1-yl]phosphane.
What is the SMILES notation for [(3S)-3-[(1R)-1-methoxyethyl]pyrrolidin-1-yl]phosphane?
The canonical SMILES for [(3S)-3-[(1R)-1-methoxyethyl]pyrrolidin-1-yl]phosphane is CO[C@H](C)[C@H]1CCN(P)C1.
What is the InChIKey of [(3S)-3-[(1R)-1-methoxyethyl]pyrrolidin-1-yl]phosphane?
The InChIKey is MULMFKYSEKAXLR-RQJHMYQMSA-N. The full InChI is InChI=1S/C7H16NOP/c1-6(9-2)7-3-4-8(10)5-7/h6-7H,3-5,10H2,1-2H3/t6-,7+/m1/s1.
What are the key properties of [(3S)-3-[(1R)-1-methoxyethyl]pyrrolidin-1-yl]phosphane?
[(3S)-3-[(1R)-1-methoxyethyl]pyrrolidin-1-yl]phosphane has a molecular weight of 161.19 g/mol, XLogP of 1.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[(1R)-1-methoxyethyl]pyrrolidin-1-yl]phosphane is sourced from PubChem (CID 59543998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).