2-prop-2-enoyl-2-azaspiro[3.3]heptane-6-carbaldehyde

C10H13NO2 — CID 174219404

IUPAC2-prop-2-enoyl-2-azaspiro[3.3]heptane-6-carbaldehyde
SMILESC=CC(=O)N1CC2(CC(C=O)C2)C1
InChIInChI=1S/C10H13NO2/c1-2-9(13)11-6-10(7-11)3-8(4-10)5-12/h2,5,8H,1,3-4,6-7H2
InChIKeyNXOGQNRCAOGSID-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.61
Rot. Bonds2

About 2-prop-2-enoyl-2-azaspiro[3.3]heptane-6-carbaldehyde

2-prop-2-enoyl-2-azaspiro[3.3]heptane-6-carbaldehyde (PubChem CID 174219404) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-prop-2-enoyl-2-azaspiro[3.3]heptane-6-carbaldehyde.

Molecular Properties

Compound Name2-prop-2-enoyl-2-azaspiro[3.3]heptane-6-carbaldehyde
PubChem CID174219404
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name2-prop-2-enoyl-2-azaspiro[3.3]heptane-6-carbaldehyde
SMILESC=CC(=O)N1CC2(CC(C=O)C2)C1
InChIInChI=1S/C10H13NO2/c1-2-9(13)11-6-10(7-11)3-8(4-10)5-12/h2,5,8H,1,3-4,6-7H2
InChIKeyNXOGQNRCAOGSID-UHFFFAOYSA-N
XLogP0.61
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 ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enoyl-2-azaspiro[3.3]heptane-6-carbaldehyde?
The IUPAC name of 2-prop-2-enoyl-2-azaspiro[3.3]heptane-6-carbaldehyde (CID 174219404) is 2-prop-2-enoyl-2-azaspiro[3.3]heptane-6-carbaldehyde.
What is the SMILES notation for 2-prop-2-enoyl-2-azaspiro[3.3]heptane-6-carbaldehyde?
The canonical SMILES for 2-prop-2-enoyl-2-azaspiro[3.3]heptane-6-carbaldehyde is C=CC(=O)N1CC2(CC(C=O)C2)C1.
What is the InChIKey of 2-prop-2-enoyl-2-azaspiro[3.3]heptane-6-carbaldehyde?
The InChIKey is NXOGQNRCAOGSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-2-9(13)11-6-10(7-11)3-8(4-10)5-12/h2,5,8H,1,3-4,6-7H2.
What are the key properties of 2-prop-2-enoyl-2-azaspiro[3.3]heptane-6-carbaldehyde?
2-prop-2-enoyl-2-azaspiro[3.3]heptane-6-carbaldehyde has a molecular weight of 179.22 g/mol, XLogP of 0.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enoyl-2-azaspiro[3.3]heptane-6-carbaldehyde is sourced from PubChem (CID 174219404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).