(Z)-2-nitrobut-2-en-1-amine

C4H8N2O2 — CID 102061295

IUPAC(Z)-2-nitrobut-2-en-1-amine
SMILESC/C=C(/CN)[N+](=O)[O-]
InChIInChI=1S/C4H8N2O2/c1-2-4(3-5)6(7)8/h2H,3,5H2,1H3/b4-2-
InChIKeyPMPLGOIJWDVZMN-RQOWECAXSA-N
MW116.12 g/mol
LogP0.13
Rot. Bonds2

About (Z)-2-nitrobut-2-en-1-amine

(Z)-2-nitrobut-2-en-1-amine (PubChem CID 102061295) has the molecular formula C4H8N2O2 and a molecular weight of 116.12 g/mol. Its IUPAC name is (Z)-2-nitrobut-2-en-1-amine.

Molecular Properties

Compound Name(Z)-2-nitrobut-2-en-1-amine
PubChem CID102061295
Molecular FormulaC4H8N2O2
Molecular Weight116.12 g/mol
Exact Mass116.06
IUPAC Name(Z)-2-nitrobut-2-en-1-amine
SMILESC/C=C(/CN)[N+](=O)[O-]
InChIInChI=1S/C4H8N2O2/c1-2-4(3-5)6(7)8/h2H,3,5H2,1H3/b4-2-
InChIKeyPMPLGOIJWDVZMN-RQOWECAXSA-N
XLogP0.13
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-nitrobut-2-en-1-amine?
The IUPAC name of (Z)-2-nitrobut-2-en-1-amine (CID 102061295) is (Z)-2-nitrobut-2-en-1-amine.
What is the SMILES notation for (Z)-2-nitrobut-2-en-1-amine?
The canonical SMILES for (Z)-2-nitrobut-2-en-1-amine is C/C=C(/CN)[N+](=O)[O-].
What is the InChIKey of (Z)-2-nitrobut-2-en-1-amine?
The InChIKey is PMPLGOIJWDVZMN-RQOWECAXSA-N. The full InChI is InChI=1S/C4H8N2O2/c1-2-4(3-5)6(7)8/h2H,3,5H2,1H3/b4-2-.
What are the key properties of (Z)-2-nitrobut-2-en-1-amine?
(Z)-2-nitrobut-2-en-1-amine has a molecular weight of 116.12 g/mol, XLogP of 0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-nitrobut-2-en-1-amine is sourced from PubChem (CID 102061295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).