2-amino-2-methyl-3-nitrosopropanenitrile

C4H7N3O — CID 143045787

IUPAC2-amino-2-methyl-3-nitrosopropanenitrile
SMILESCC(N)(C#N)CN=O
InChIInChI=1S/C4H7N3O/c1-4(6,2-5)3-7-8/h3,6H2,1H3
InChIKeyINQCCSQPUGTVKU-UHFFFAOYSA-N
MW113.12 g/mol
LogP-0.01
Rot. Bonds2

About 2-amino-2-methyl-3-nitrosopropanenitrile

2-amino-2-methyl-3-nitrosopropanenitrile (PubChem CID 143045787) has the molecular formula C4H7N3O and a molecular weight of 113.12 g/mol. Its IUPAC name is 2-amino-2-methyl-3-nitrosopropanenitrile.

Molecular Properties

Compound Name2-amino-2-methyl-3-nitrosopropanenitrile
PubChem CID143045787
Molecular FormulaC4H7N3O
Molecular Weight113.12 g/mol
Exact Mass113.06
IUPAC Name2-amino-2-methyl-3-nitrosopropanenitrile
SMILESCC(N)(C#N)CN=O
InChIInChI=1S/C4H7N3O/c1-4(6,2-5)3-7-8/h3,6H2,1H3
InChIKeyINQCCSQPUGTVKU-UHFFFAOYSA-N
XLogP-0.01
TPSA79.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-3-nitrosopropanenitrile?
The IUPAC name of 2-amino-2-methyl-3-nitrosopropanenitrile (CID 143045787) is 2-amino-2-methyl-3-nitrosopropanenitrile.
What is the SMILES notation for 2-amino-2-methyl-3-nitrosopropanenitrile?
The canonical SMILES for 2-amino-2-methyl-3-nitrosopropanenitrile is CC(N)(C#N)CN=O.
What is the InChIKey of 2-amino-2-methyl-3-nitrosopropanenitrile?
The InChIKey is INQCCSQPUGTVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O/c1-4(6,2-5)3-7-8/h3,6H2,1H3.
What are the key properties of 2-amino-2-methyl-3-nitrosopropanenitrile?
2-amino-2-methyl-3-nitrosopropanenitrile has a molecular weight of 113.12 g/mol, XLogP of -0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-3-nitrosopropanenitrile is sourced from PubChem (CID 143045787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).