nitrous acid;pent-2-ene

C5H11NO2 — CID 87504144

IUPACnitrous acid;pent-2-ene
SMILESCC=CCC.O=NO
InChIInChI=1S/C5H10.HNO2/c1-3-5-4-2;2-1-3/h3,5H,4H2,1-2H3;(H,2,3)
InChIKeyYYNRKSUTNCNYQE-UHFFFAOYSA-N
MW117.15 g/mol
LogP2.11
Rot. Bonds1

About nitrous acid;pent-2-ene

nitrous acid;pent-2-ene (PubChem CID 87504144) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is nitrous acid;pent-2-ene.

Molecular Properties

Compound Namenitrous acid;pent-2-ene
PubChem CID87504144
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Namenitrous acid;pent-2-ene
SMILESCC=CCC.O=NO
InChIInChI=1S/C5H10.HNO2/c1-3-5-4-2;2-1-3/h3,5H,4H2,1-2H3;(H,2,3)
InChIKeyYYNRKSUTNCNYQE-UHFFFAOYSA-N
XLogP2.11
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-but-2-ene;(Z)-pent-2-ene
CID 143108402
germane;pent-2-ene
CID 174678272
CID 162303422
CID 162303422
ethane;ethene;(E)-pent-2-ene
CID 154666573
but-1-ene;(Z)-pent-2-ene
CID 156866422
hexane;(Z)-pent-2-ene;tetrahydrate
CID 176555754
acetaldehyde;nitrous acid
CID 174522252
azane;ethanol;nitrous acid
CID 174524310
4-hydroxybenzoic acid;pent-2-ene
CID 174305627
methane;penta-1,3-diene;pent-2-ene
CID 158883793
ethane;2-methylbutane;2-methylpropane;pent-2-ene;propane
CID 143337610
bis(pent-1-ene);pent-2-ene
CID 158608078

Frequently Asked Questions

What is the IUPAC name of nitrous acid;pent-2-ene?
The IUPAC name of nitrous acid;pent-2-ene (CID 87504144) is nitrous acid;pent-2-ene.
What is the SMILES notation for nitrous acid;pent-2-ene?
The canonical SMILES for nitrous acid;pent-2-ene is CC=CCC.O=NO.
What is the InChIKey of nitrous acid;pent-2-ene?
The InChIKey is YYNRKSUTNCNYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10.HNO2/c1-3-5-4-2;2-1-3/h3,5H,4H2,1-2H3;(H,2,3).
What are the key properties of nitrous acid;pent-2-ene?
nitrous acid;pent-2-ene has a molecular weight of 117.15 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for nitrous acid;pent-2-ene is sourced from PubChem (CID 87504144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).