methyl N-[bis(aziridin-1-yl)phosphoryl]carbamate

C6H12N3O3P — CID 138755456

IUPACmethyl N-[bis(aziridin-1-yl)phosphoryl]carbamate
SMILESCOC(=O)NP(=O)(N1CC1)N1CC1
InChIInChI=1S/C6H12N3O3P/c1-12-6(10)7-13(11,8-2-3-8)9-4-5-9/h2-5H2,1H3,(H,7,10,11)
InChIKeyGVXGJKYPAGDEAW-UHFFFAOYSA-N
MW205.15 g/mol
LogP0.08
Rot. Bonds3

About methyl N-[bis(aziridin-1-yl)phosphoryl]carbamate

methyl N-[bis(aziridin-1-yl)phosphoryl]carbamate (PubChem CID 138755456) has the molecular formula C6H12N3O3P and a molecular weight of 205.15 g/mol. Its IUPAC name is methyl N-[bis(aziridin-1-yl)phosphoryl]carbamate.

Molecular Properties

Compound Namemethyl N-[bis(aziridin-1-yl)phosphoryl]carbamate
PubChem CID138755456
Molecular FormulaC6H12N3O3P
Molecular Weight205.15 g/mol
Exact Mass205.06
IUPAC Namemethyl N-[bis(aziridin-1-yl)phosphoryl]carbamate
SMILESCOC(=O)NP(=O)(N1CC1)N1CC1
InChIInChI=1S/C6H12N3O3P/c1-12-6(10)7-13(11,8-2-3-8)9-4-5-9/h2-5H2,1H3,(H,7,10,11)
InChIKeyGVXGJKYPAGDEAW-UHFFFAOYSA-N
XLogP0.08
TPSA61.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.15
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl N-[bis(aziridin-1-yl)phosphoryl]carbamate?
The IUPAC name of methyl N-[bis(aziridin-1-yl)phosphoryl]carbamate (CID 138755456) is methyl N-[bis(aziridin-1-yl)phosphoryl]carbamate.
What is the SMILES notation for methyl N-[bis(aziridin-1-yl)phosphoryl]carbamate?
The canonical SMILES for methyl N-[bis(aziridin-1-yl)phosphoryl]carbamate is COC(=O)NP(=O)(N1CC1)N1CC1.
What is the InChIKey of methyl N-[bis(aziridin-1-yl)phosphoryl]carbamate?
The InChIKey is GVXGJKYPAGDEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N3O3P/c1-12-6(10)7-13(11,8-2-3-8)9-4-5-9/h2-5H2,1H3,(H,7,10,11).
What are the key properties of methyl N-[bis(aziridin-1-yl)phosphoryl]carbamate?
methyl N-[bis(aziridin-1-yl)phosphoryl]carbamate has a molecular weight of 205.15 g/mol, XLogP of 0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[bis(aziridin-1-yl)phosphoryl]carbamate is sourced from PubChem (CID 138755456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).