2-nitrosopent-4-enoic acid

C5H7NO3 — CID 57318320

IUPAC2-nitrosopent-4-enoic acid
SMILESC=CCC(N=O)C(=O)O
InChIInChI=1S/C5H7NO3/c1-2-3-4(6-9)5(7)8/h2,4H,1,3H2,(H,7,8)
InChIKeyQXSWLIBCRKWWNG-UHFFFAOYSA-N
MW129.11 g/mol
LogP0.78
Rot. Bonds4

About 2-nitrosopent-4-enoic acid

2-nitrosopent-4-enoic acid (PubChem CID 57318320) has the molecular formula C5H7NO3 and a molecular weight of 129.11 g/mol. Its IUPAC name is 2-nitrosopent-4-enoic acid.

Molecular Properties

Compound Name2-nitrosopent-4-enoic acid
PubChem CID57318320
Molecular FormulaC5H7NO3
Molecular Weight129.11 g/mol
Exact Mass129.04
IUPAC Name2-nitrosopent-4-enoic acid
SMILESC=CCC(N=O)C(=O)O
InChIInChI=1S/C5H7NO3/c1-2-3-4(6-9)5(7)8/h2,4H,1,3H2,(H,7,8)
InChIKeyQXSWLIBCRKWWNG-UHFFFAOYSA-N
XLogP0.78
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.11
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-azidopent-4-enoic acid
CID 77132005
4-nitrosohepta-1,6-diene
CID 57286056
2-(2-chloroacetyl)pent-4-enoic acid
CID 87583717
2-(1-hydroxyethenyl)pent-4-enoic acid
CID 173039321
2-hepta-1,6-dien-4-ylpropanedioic acid
CID 88756063
2-chloropent-4-enoic acid
CID 20540306
2-aminopent-4-enoic acid;cyclohexane
CID 174929503
lithium;dihydrogen borate;bis(2-prop-2-enylpropanedioic acid)
CID 175964923
2-(1-hydroxyethyl)pent-4-enoic acid
CID 18940262
3-hydroxy-2-methylhex-5-enoic acid
CID 174792452
(Z)-2-(methylamino)-4-prop-2-enylhept-5-enoic acid
CID 145135055
(2S)-2-[(1S)-1-aminoethyl]pent-4-enoic acid
CID 10866451

Frequently Asked Questions

What is the IUPAC name of 2-nitrosopent-4-enoic acid?
The IUPAC name of 2-nitrosopent-4-enoic acid (CID 57318320) is 2-nitrosopent-4-enoic acid.
What is the SMILES notation for 2-nitrosopent-4-enoic acid?
The canonical SMILES for 2-nitrosopent-4-enoic acid is C=CCC(N=O)C(=O)O.
What is the InChIKey of 2-nitrosopent-4-enoic acid?
The InChIKey is QXSWLIBCRKWWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO3/c1-2-3-4(6-9)5(7)8/h2,4H,1,3H2,(H,7,8).
What are the key properties of 2-nitrosopent-4-enoic acid?
2-nitrosopent-4-enoic acid has a molecular weight of 129.11 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitrosopent-4-enoic acid is sourced from PubChem (CID 57318320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).