(3S)-2-azaspiro[4.4]non-7-ene-2,3-dicarbaldehyde

C10H13NO2 — CID 58807919

IUPAC(3S)-2-azaspiro[4.4]non-7-ene-2,3-dicarbaldehyde
SMILESO=C[C@@H]1CC2(CC=CC2)CN1C=O
InChIInChI=1S/C10H13NO2/c12-6-9-5-10(3-1-2-4-10)7-11(9)8-13/h1-2,6,8-9H,3-5,7H2/t9-/m0/s1
InChIKeyYWHRVQTXSMWCKC-VIFPVBQESA-N
MW179.22 g/mol
LogP0.75
Rot. Bonds2

About (3S)-2-azaspiro[4.4]non-7-ene-2,3-dicarbaldehyde

(3S)-2-azaspiro[4.4]non-7-ene-2,3-dicarbaldehyde (PubChem CID 58807919) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is (3S)-2-azaspiro[4.4]non-7-ene-2,3-dicarbaldehyde.

Molecular Properties

Compound Name(3S)-2-azaspiro[4.4]non-7-ene-2,3-dicarbaldehyde
PubChem CID58807919
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name(3S)-2-azaspiro[4.4]non-7-ene-2,3-dicarbaldehyde
SMILESO=C[C@@H]1CC2(CC=CC2)CN1C=O
InChIInChI=1S/C10H13NO2/c12-6-9-5-10(3-1-2-4-10)7-11(9)8-13/h1-2,6,8-9H,3-5,7H2/t9-/m0/s1
InChIKeyYWHRVQTXSMWCKC-VIFPVBQESA-N
XLogP0.75
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-2-azaspiro[4.4]non-7-ene-2,3-dicarbaldehyde?
The IUPAC name of (3S)-2-azaspiro[4.4]non-7-ene-2,3-dicarbaldehyde (CID 58807919) is (3S)-2-azaspiro[4.4]non-7-ene-2,3-dicarbaldehyde.
What is the SMILES notation for (3S)-2-azaspiro[4.4]non-7-ene-2,3-dicarbaldehyde?
The canonical SMILES for (3S)-2-azaspiro[4.4]non-7-ene-2,3-dicarbaldehyde is O=C[C@@H]1CC2(CC=CC2)CN1C=O.
What is the InChIKey of (3S)-2-azaspiro[4.4]non-7-ene-2,3-dicarbaldehyde?
The InChIKey is YWHRVQTXSMWCKC-VIFPVBQESA-N. The full InChI is InChI=1S/C10H13NO2/c12-6-9-5-10(3-1-2-4-10)7-11(9)8-13/h1-2,6,8-9H,3-5,7H2/t9-/m0/s1.
What are the key properties of (3S)-2-azaspiro[4.4]non-7-ene-2,3-dicarbaldehyde?
(3S)-2-azaspiro[4.4]non-7-ene-2,3-dicarbaldehyde has a molecular weight of 179.22 g/mol, XLogP of 0.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-azaspiro[4.4]non-7-ene-2,3-dicarbaldehyde is sourced from PubChem (CID 58807919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).