1-nitrosopropan-2-amine

C3H8N2O — CID 22057579

IUPAC1-nitrosopropan-2-amine
SMILESCC(N)CN=O
InChIInChI=1S/C3H8N2O/c1-3(4)2-5-6/h3H,2,4H2,1H3
InChIKeyDVDGPOGBYXZKRY-UHFFFAOYSA-N
MW88.11 g/mol
LogP0.10
Rot. Bonds2

About 1-nitrosopropan-2-amine

1-nitrosopropan-2-amine (PubChem CID 22057579) has the molecular formula C3H8N2O and a molecular weight of 88.11 g/mol. Its IUPAC name is 1-nitrosopropan-2-amine.

Molecular Properties

Compound Name1-nitrosopropan-2-amine
PubChem CID22057579
Molecular FormulaC3H8N2O
Molecular Weight88.11 g/mol
Exact Mass88.06
IUPAC Name1-nitrosopropan-2-amine
SMILESCC(N)CN=O
InChIInChI=1S/C3H8N2O/c1-3(4)2-5-6/h3H,2,4H2,1H3
InChIKeyDVDGPOGBYXZKRY-UHFFFAOYSA-N
XLogP0.10
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.11
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-nitrosopropan-2-amine?
The IUPAC name of 1-nitrosopropan-2-amine (CID 22057579) is 1-nitrosopropan-2-amine.
What is the SMILES notation for 1-nitrosopropan-2-amine?
The canonical SMILES for 1-nitrosopropan-2-amine is CC(N)CN=O.
What is the InChIKey of 1-nitrosopropan-2-amine?
The InChIKey is DVDGPOGBYXZKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2O/c1-3(4)2-5-6/h3H,2,4H2,1H3.
What are the key properties of 1-nitrosopropan-2-amine?
1-nitrosopropan-2-amine has a molecular weight of 88.11 g/mol, XLogP of 0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nitrosopropan-2-amine is sourced from PubChem (CID 22057579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).