(1S,4R)-2-phosphanyl-2-azabicyclo[2.2.1]heptan-3-one

C6H10NOP — CID 143481637

IUPAC(1S,4R)-2-phosphanyl-2-azabicyclo[2.2.1]heptan-3-one
SMILESO=C1[C@@H]2CC[C@@H](C2)N1P
InChIInChI=1S/C6H10NOP/c8-6-4-1-2-5(3-4)7(6)9/h4-5H,1-3,9H2/t4-,5+/m1/s1
InChIKeySAUDUOBCDSPNGV-UHNVWZDZSA-N
MW143.13 g/mol
LogP0.79
Rot. Bonds

About (1S,4R)-2-phosphanyl-2-azabicyclo[2.2.1]heptan-3-one

(1S,4R)-2-phosphanyl-2-azabicyclo[2.2.1]heptan-3-one (PubChem CID 143481637) has the molecular formula C6H10NOP and a molecular weight of 143.13 g/mol. Its IUPAC name is (1S,4R)-2-phosphanyl-2-azabicyclo[2.2.1]heptan-3-one.

Molecular Properties

Compound Name(1S,4R)-2-phosphanyl-2-azabicyclo[2.2.1]heptan-3-one
PubChem CID143481637
Molecular FormulaC6H10NOP
Molecular Weight143.13 g/mol
Exact Mass143.05
IUPAC Name(1S,4R)-2-phosphanyl-2-azabicyclo[2.2.1]heptan-3-one
SMILESO=C1[C@@H]2CC[C@@H](C2)N1P
InChIInChI=1S/C6H10NOP/c8-6-4-1-2-5(3-4)7(6)9/h4-5H,1-3,9H2/t4-,5+/m1/s1
InChIKeySAUDUOBCDSPNGV-UHNVWZDZSA-N
XLogP0.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.13
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S,4R)-2-azabicyclo(2.2.1)heptan-3-one
CID 2734523
2-Azabicyclo(2.2.1)heptan-3-one
CID 13078198
(1R,4S)-2-azabicyclo(2.2.1)heptan-3-one
CID 55250818
Trifluoro-[(3-oxo-2-azabicyclo[2.2.1]heptan-2-yl)methyl]boranuide
CID 133623913
(1S,4S)-2-azabicyclo[2.2.1]heptan-3-one
CID 7009112
2-Acetyl-2-azabicyclo[2.2.1]heptan-3-one
CID 45085975
2-Phosphanyl-2-azabicyclo[2.2.1]heptan-3-one
CID 57753763
2-Methyl-2-azabicyclo[2.2.1]heptan-3-one
CID 58841099
CID 70306749
CID 70306749
(1S,4R)-2-propan-2-yl-2-azabicyclo[2.2.1]heptan-3-one
CID 89060625
(1S,4R)-2-methyl-2-azabicyclo[2.2.1]heptan-3-one
CID 89069680
(4R)-2-azabicyclo[2.2.1]heptan-3-one
CID 89192644

Frequently Asked Questions

What is the IUPAC name of (1S,4R)-2-phosphanyl-2-azabicyclo[2.2.1]heptan-3-one?
The IUPAC name of (1S,4R)-2-phosphanyl-2-azabicyclo[2.2.1]heptan-3-one (CID 143481637) is (1S,4R)-2-phosphanyl-2-azabicyclo[2.2.1]heptan-3-one.
What is the SMILES notation for (1S,4R)-2-phosphanyl-2-azabicyclo[2.2.1]heptan-3-one?
The canonical SMILES for (1S,4R)-2-phosphanyl-2-azabicyclo[2.2.1]heptan-3-one is O=C1[C@@H]2CC[C@@H](C2)N1P.
What is the InChIKey of (1S,4R)-2-phosphanyl-2-azabicyclo[2.2.1]heptan-3-one?
The InChIKey is SAUDUOBCDSPNGV-UHNVWZDZSA-N. The full InChI is InChI=1S/C6H10NOP/c8-6-4-1-2-5(3-4)7(6)9/h4-5H,1-3,9H2/t4-,5+/m1/s1.
What are the key properties of (1S,4R)-2-phosphanyl-2-azabicyclo[2.2.1]heptan-3-one?
(1S,4R)-2-phosphanyl-2-azabicyclo[2.2.1]heptan-3-one has a molecular weight of 143.13 g/mol, XLogP of 0.79, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R)-2-phosphanyl-2-azabicyclo[2.2.1]heptan-3-one is sourced from PubChem (CID 143481637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).