ethane;N-methoxyformamide;6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one;pyrrolidine

C14H31N4O3P — CID 144827237

IUPACethane;N-methoxyformamide;6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one;pyrrolidine
SMILESC1CCNC1.CC.CONC=O.O=C1N2CCCC(C2)N1P
InChIInChI=1S/C6H11N2OP.C4H9N.C2H5NO2.C2H6/c9-6-7-3-1-2-5(4-7)8(6)10;1-2-4-5-3-1;1-5-3-2-4;1-2/h5H,1-4,10H2;5H,1-4H2;2H,1H3,(H,3,4);1-2H3
InChIKeyACRMFVXSXULEAV-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.37
Rot. Bonds2

About ethane;N-methoxyformamide;6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one;pyrrolidine

ethane;N-methoxyformamide;6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one;pyrrolidine (PubChem CID 144827237) has the molecular formula C14H31N4O3P and a molecular weight of 334.40 g/mol. Its IUPAC name is ethane;N-methoxyformamide;6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one;pyrrolidine.

Molecular Properties

Compound Nameethane;N-methoxyformamide;6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one;pyrrolidine
PubChem CID144827237
Molecular FormulaC14H31N4O3P
Molecular Weight334.40 g/mol
Exact Mass334.21
IUPAC Nameethane;N-methoxyformamide;6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one;pyrrolidine
SMILESC1CCNC1.CC.CONC=O.O=C1N2CCCC(C2)N1P
InChIInChI=1S/C6H11N2OP.C4H9N.C2H5NO2.C2H6/c9-6-7-3-1-2-5(4-7)8(6)10;1-2-4-5-3-1;1-5-3-2-4;1-2/h5H,1-4,10H2;5H,1-4H2;2H,1H3,(H,3,4);1-2H3
InChIKeyACRMFVXSXULEAV-UHFFFAOYSA-N
XLogP1.37
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-methoxyformamide;pyrrolidine;6-sulfanyloxysulfanyloxy-1,6-diazabicyclo[3.2.1]octan-7-one
CID 142418302
N-[2-(phosphanylamino)propoxy]formamide;6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one
CID 144827224
N-[2-(dimethylamino)ethoxy]formamide;6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one
CID 144827229
ethane;N-hydroxyformamide;6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one;pyrrolidine
CID 144827234
N-(3-aminopropoxy)formamide;6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one
CID 144827236
ethane;N-[2-[methyl(phosphanyl)amino]ethoxy]formamide;6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one
CID 144827240
N-[2-(phosphanylamino)ethoxy]formamide;6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one
CID 144827241
N-methoxyformamide;2-methylpyrrolidine;[(5R)-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate
CID 144836927
N-methoxyformamide;(5R)-6-phosphanyloxy-1,6-diazabicyclo[3.2.1]octan-7-one;pyrrolidine
CID 145677115

Frequently Asked Questions

What is the IUPAC name of ethane;N-methoxyformamide;6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one;pyrrolidine?
The IUPAC name of ethane;N-methoxyformamide;6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one;pyrrolidine (CID 144827237) is ethane;N-methoxyformamide;6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one;pyrrolidine.
What is the SMILES notation for ethane;N-methoxyformamide;6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one;pyrrolidine?
The canonical SMILES for ethane;N-methoxyformamide;6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one;pyrrolidine is C1CCNC1.CC.CONC=O.O=C1N2CCCC(C2)N1P.
What is the InChIKey of ethane;N-methoxyformamide;6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one;pyrrolidine?
The InChIKey is ACRMFVXSXULEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N2OP.C4H9N.C2H5NO2.C2H6/c9-6-7-3-1-2-5(4-7)8(6)10;1-2-4-5-3-1;1-5-3-2-4;1-2/h5H,1-4,10H2;5H,1-4H2;2H,1H3,(H,3,4);1-2H3.
What are the key properties of ethane;N-methoxyformamide;6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one;pyrrolidine?
ethane;N-methoxyformamide;6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one;pyrrolidine has a molecular weight of 334.40 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methoxyformamide;6-phosphanyl-1,6-diazabicyclo[3.2.1]octan-7-one;pyrrolidine is sourced from PubChem (CID 144827237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).