2-Nonenoic acid

C9H16O2 — CID 97730

IUPACnon-2-enoic acid
SMILESCCCCCCC=CC(=O)O
InChIInChI=1S/C9H16O2/c1-2-3-4-5-6-7-8-9(10)11/h7-8H,2-6H2,1H3,(H,10,11)
InChIKeyADLXTJMPCFOTOO-UHFFFAOYSA-N
MW156.22 g/mol
LogP3.20
Rot. Bonds6

About 2-Nonenoic acid

2-Nonenoic acid (PubChem CID 97730) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is non-2-enoic acid.

Molecular Properties

Compound Name2-Nonenoic acid
PubChem CID97730
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Namenon-2-enoic acid
SMILESCCCCCCC=CC(=O)O
InChIInChI=1S/C9H16O2/c1-2-3-4-5-6-7-8-9(10)11/h7-8H,2-6H2,1H3,(H,10,11)
InChIKeyADLXTJMPCFOTOO-UHFFFAOYSA-N
XLogP3.20
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity128

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Geranic acid
CID 5275520
trans-2-Pentenoic acid
CID 638122
trans-2-Octenoic acid
CID 5282714
Hexadecenoic Acid
CID 5282743
2-Hexenoic acid, (2E)-
CID 5282707
trans-2-Decenoic acid
CID 5282724
3,7-Dimethylocta-2,6-dienoic acid
CID 9989
2-Heptenoic acid
CID 5282709
Methyl 2-nonenoate
CID 5368076
Dodec-2-enoic acid
CID 5282729
Octadecenoic Acid
CID 5282750
2-Hexenoic acid
CID 14486

Frequently Asked Questions

What is the IUPAC name of 2-Nonenoic acid?
The IUPAC name of 2-Nonenoic acid (CID 97730) is non-2-enoic acid.
What is the SMILES notation for 2-Nonenoic acid?
The canonical SMILES for 2-Nonenoic acid is CCCCCCC=CC(=O)O.
What is the InChIKey of 2-Nonenoic acid?
The InChIKey is ADLXTJMPCFOTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-2-3-4-5-6-7-8-9(10)11/h7-8H,2-6H2,1H3,(H,10,11).
What are the key properties of 2-Nonenoic acid?
2-Nonenoic acid has a molecular weight of 156.22 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Nonenoic acid is sourced from PubChem (CID 97730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).