(E)-2-nitropent-2-ene

C5H9NO2 — CID 6437612

IUPAC(E)-2-nitropent-2-ene
SMILESCC/C=C(\C)[N+](=O)[O-]
InChIInChI=1S/C5H9NO2/c1-3-4-5(2)6(7)8/h4H,3H2,1-2H3/b5-4+
InChIKeyGRIOPRKVQWFULY-SNAWJCMRSA-N
MW115.13 g/mol
LogP1.58
Rot. Bonds2

About (E)-2-nitropent-2-ene

(E)-2-nitropent-2-ene (PubChem CID 6437612) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is (E)-2-nitropent-2-ene.

Molecular Properties

Compound Name(E)-2-nitropent-2-ene
PubChem CID6437612
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name(E)-2-nitropent-2-ene
SMILESCC/C=C(\C)[N+](=O)[O-]
InChIInChI=1S/C5H9NO2/c1-3-4-5(2)6(7)8/h4H,3H2,1-2H3/b5-4+
InChIKeyGRIOPRKVQWFULY-SNAWJCMRSA-N
XLogP1.58
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (E)-2-nitropent-2-ene?
The IUPAC name of (E)-2-nitropent-2-ene (CID 6437612) is (E)-2-nitropent-2-ene.
What is the SMILES notation for (E)-2-nitropent-2-ene?
The canonical SMILES for (E)-2-nitropent-2-ene is CC/C=C(\C)[N+](=O)[O-].
What is the InChIKey of (E)-2-nitropent-2-ene?
The InChIKey is GRIOPRKVQWFULY-SNAWJCMRSA-N. The full InChI is InChI=1S/C5H9NO2/c1-3-4-5(2)6(7)8/h4H,3H2,1-2H3/b5-4+.
What are the key properties of (E)-2-nitropent-2-ene?
(E)-2-nitropent-2-ene has a molecular weight of 115.13 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-nitropent-2-ene is sourced from PubChem (CID 6437612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).