2-nitro-N-propylprop-1-en-1-amine

C6H12N2O2 — CID 71371907

IUPAC2-nitro-N-propylprop-1-en-1-amine
SMILESCCCNC=C(C)[N+](=O)[O-]
InChIInChI=1S/C6H12N2O2/c1-3-4-7-5-6(2)8(9)10/h5,7H,3-4H2,1-2H3
InChIKeyUIUUIXCRHLRLLK-UHFFFAOYSA-N
MW144.17 g/mol
LogP1.12
Rot. Bonds4

About 2-nitro-N-propylprop-1-en-1-amine

2-nitro-N-propylprop-1-en-1-amine (PubChem CID 71371907) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is 2-nitro-N-propylprop-1-en-1-amine.

Molecular Properties

Compound Name2-nitro-N-propylprop-1-en-1-amine
PubChem CID71371907
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name2-nitro-N-propylprop-1-en-1-amine
SMILESCCCNC=C(C)[N+](=O)[O-]
InChIInChI=1S/C6H12N2O2/c1-3-4-7-5-6(2)8(9)10/h5,7H,3-4H2,1-2H3
InChIKeyUIUUIXCRHLRLLK-UHFFFAOYSA-N
XLogP1.12
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-2-nitro-3-(propylamino)prop-2-enal
CID 11105624
(Z)-N'-methyl-1-nitro-N-propylethene-1,2-diamine
CID 102012729
2-methyl-3-(propylamino)prop-2-enal;hydrochloride
CID 175310353
(Z)-2-nitro-N-propan-2-ylprop-1-en-1-amine
CID 55299762
3-methyl-2-prop-1-en-2-yl-N-propylbuta-1,3-dien-1-amine
CID 170028248
propyl (E)-3-nitrobut-2-enoate
CID 71606784
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[[(E)-2-nitroprop-1-enyl]amino]propanoate
CID 134420966
(Z)-2-amino-3-(propylamino)prop-2-en-1-ol
CID 155484558
(E)-2-N-methyl-1-N-propylbut-1-ene-1,2-diamine
CID 170238799
ethane;ethene;(E)-2-nitrobut-2-ene;prop-1-ene
CID 143371812
3-nitrohex-2-ene
CID 22447
(E)-N-(2-methylpropyl)-2-nitrohept-1-en-1-amine
CID 134932360

Frequently Asked Questions

What is the IUPAC name of 2-nitro-N-propylprop-1-en-1-amine?
The IUPAC name of 2-nitro-N-propylprop-1-en-1-amine (CID 71371907) is 2-nitro-N-propylprop-1-en-1-amine.
What is the SMILES notation for 2-nitro-N-propylprop-1-en-1-amine?
The canonical SMILES for 2-nitro-N-propylprop-1-en-1-amine is CCCNC=C(C)[N+](=O)[O-].
What is the InChIKey of 2-nitro-N-propylprop-1-en-1-amine?
The InChIKey is UIUUIXCRHLRLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-3-4-7-5-6(2)8(9)10/h5,7H,3-4H2,1-2H3.
What are the key properties of 2-nitro-N-propylprop-1-en-1-amine?
2-nitro-N-propylprop-1-en-1-amine has a molecular weight of 144.17 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-N-propylprop-1-en-1-amine is sourced from PubChem (CID 71371907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).