(2R)-2-anilinooxyundec-10-enal

C17H25NO2 — CID 102082752

IUPAC(2R)-2-anilinooxyundec-10-enal
SMILESC=CCCCCCCC[C@H](C=O)ONc1ccccc1
InChIInChI=1S/C17H25NO2/c1-2-3-4-5-6-7-11-14-17(15-19)20-18-16-12-9-8-10-13-16/h2,8-10,12-13,15,17-18H,1,3-7,11,14H2/t17-/m1/s1
InChIKeyYNPUGOFVWXOCOH-QGZVFWFLSA-N
MW275.39 g/mol
LogP4.51
Rot. Bonds12

About (2R)-2-anilinooxyundec-10-enal

(2R)-2-anilinooxyundec-10-enal (PubChem CID 102082752) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is (2R)-2-anilinooxyundec-10-enal.

Molecular Properties

Compound Name(2R)-2-anilinooxyundec-10-enal
PubChem CID102082752
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name(2R)-2-anilinooxyundec-10-enal
SMILESC=CCCCCCCC[C@H](C=O)ONc1ccccc1
InChIInChI=1S/C17H25NO2/c1-2-3-4-5-6-7-11-14-17(15-19)20-18-16-12-9-8-10-13-16/h2,8-10,12-13,15,17-18H,1,3-7,11,14H2/t17-/m1/s1
InChIKeyYNPUGOFVWXOCOH-QGZVFWFLSA-N
XLogP4.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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 (2R)-2-anilinooxyundec-10-enal?
The IUPAC name of (2R)-2-anilinooxyundec-10-enal (CID 102082752) is (2R)-2-anilinooxyundec-10-enal.
What is the SMILES notation for (2R)-2-anilinooxyundec-10-enal?
The canonical SMILES for (2R)-2-anilinooxyundec-10-enal is C=CCCCCCCC[C@H](C=O)ONc1ccccc1.
What is the InChIKey of (2R)-2-anilinooxyundec-10-enal?
The InChIKey is YNPUGOFVWXOCOH-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H25NO2/c1-2-3-4-5-6-7-11-14-17(15-19)20-18-16-12-9-8-10-13-16/h2,8-10,12-13,15,17-18H,1,3-7,11,14H2/t17-/m1/s1.
What are the key properties of (2R)-2-anilinooxyundec-10-enal?
(2R)-2-anilinooxyundec-10-enal has a molecular weight of 275.39 g/mol, XLogP of 4.51, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-anilinooxyundec-10-enal is sourced from PubChem (CID 102082752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).