(Z)-2-nitro-N-propan-2-ylprop-1-en-1-amine

C6H12N2O2 — CID 55299762

IUPAC(Z)-2-nitro-N-propan-2-ylprop-1-en-1-amine
SMILESC/C(=C/NC(C)C)[N+](=O)[O-]
InChIInChI=1S/C6H12N2O2/c1-5(2)7-4-6(3)8(9)10/h4-5,7H,1-3H3/b6-4-
InChIKeyOSCPLGFJQIZFFN-XQRVVYSFSA-N
MW144.17 g/mol
LogP1.12
Rot. Bonds3

About (Z)-2-nitro-N-propan-2-ylprop-1-en-1-amine

(Z)-2-nitro-N-propan-2-ylprop-1-en-1-amine (PubChem CID 55299762) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is (Z)-2-nitro-N-propan-2-ylprop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-2-nitro-N-propan-2-ylprop-1-en-1-amine
PubChem CID55299762
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name(Z)-2-nitro-N-propan-2-ylprop-1-en-1-amine
SMILESC/C(=C/NC(C)C)[N+](=O)[O-]
InChIInChI=1S/C6H12N2O2/c1-5(2)7-4-6(3)8(9)10/h4-5,7H,1-3H3/b6-4-
InChIKeyOSCPLGFJQIZFFN-XQRVVYSFSA-N
XLogP1.12
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 51.12
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-nitro-N-propan-2-ylprop-1-en-1-amine?
The IUPAC name of (Z)-2-nitro-N-propan-2-ylprop-1-en-1-amine (CID 55299762) is (Z)-2-nitro-N-propan-2-ylprop-1-en-1-amine.
What is the SMILES notation for (Z)-2-nitro-N-propan-2-ylprop-1-en-1-amine?
The canonical SMILES for (Z)-2-nitro-N-propan-2-ylprop-1-en-1-amine is C/C(=C/NC(C)C)[N+](=O)[O-].
What is the InChIKey of (Z)-2-nitro-N-propan-2-ylprop-1-en-1-amine?
The InChIKey is OSCPLGFJQIZFFN-XQRVVYSFSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-5(2)7-4-6(3)8(9)10/h4-5,7H,1-3H3/b6-4-.
What are the key properties of (Z)-2-nitro-N-propan-2-ylprop-1-en-1-amine?
(Z)-2-nitro-N-propan-2-ylprop-1-en-1-amine has a molecular weight of 144.17 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-nitro-N-propan-2-ylprop-1-en-1-amine is sourced from PubChem (CID 55299762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).