(1E)-cyclononene-1-carbaldehyde

C10H16O — CID 22647283

IUPAC(1E)-cyclononene-1-carbaldehyde
SMILESO=C/C1=C/CCCCCCC1
InChIInChI=1S/C10H16O/c11-9-10-7-5-3-1-2-4-6-8-10/h7,9H,1-6,8H2/b10-7+
InChIKeyHHKBIKLXRANFFD-JXMROGBWSA-N
MW152.24 g/mol
LogP2.86
Rot. Bonds1

About (1E)-cyclononene-1-carbaldehyde

(1E)-cyclononene-1-carbaldehyde (PubChem CID 22647283) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (1E)-cyclononene-1-carbaldehyde.

Molecular Properties

Compound Name(1E)-cyclononene-1-carbaldehyde
PubChem CID22647283
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(1E)-cyclononene-1-carbaldehyde
SMILESO=C/C1=C/CCCCCCC1
InChIInChI=1S/C10H16O/c11-9-10-7-5-3-1-2-4-6-8-10/h7,9H,1-6,8H2/b10-7+
InChIKeyHHKBIKLXRANFFD-JXMROGBWSA-N
XLogP2.86
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E)-cyclononene-1-carbaldehyde?
The IUPAC name of (1E)-cyclononene-1-carbaldehyde (CID 22647283) is (1E)-cyclononene-1-carbaldehyde.
What is the SMILES notation for (1E)-cyclononene-1-carbaldehyde?
The canonical SMILES for (1E)-cyclononene-1-carbaldehyde is O=C/C1=C/CCCCCCC1.
What is the InChIKey of (1E)-cyclononene-1-carbaldehyde?
The InChIKey is HHKBIKLXRANFFD-JXMROGBWSA-N. The full InChI is InChI=1S/C10H16O/c11-9-10-7-5-3-1-2-4-6-8-10/h7,9H,1-6,8H2/b10-7+.
What are the key properties of (1E)-cyclononene-1-carbaldehyde?
(1E)-cyclononene-1-carbaldehyde has a molecular weight of 152.24 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-cyclononene-1-carbaldehyde is sourced from PubChem (CID 22647283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).