3-(7-oxo-5-oxa-6-azaspiro[3.4]octan-6-yl)propanal

C9H13NO3 — CID 105440496

IUPAC3-(7-oxo-5-oxa-6-azaspiro[3.4]octan-6-yl)propanal
SMILESO=CCCN1OC2(CCC2)CC1=O
InChIInChI=1S/C9H13NO3/c11-6-2-5-10-8(12)7-9(13-10)3-1-4-9/h6H,1-5,7H2
InChIKeyNDNYSFSRXQLNSH-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.66
Rot. Bonds3

About 3-(7-oxo-5-oxa-6-azaspiro[3.4]octan-6-yl)propanal

3-(7-oxo-5-oxa-6-azaspiro[3.4]octan-6-yl)propanal (PubChem CID 105440496) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 3-(7-oxo-5-oxa-6-azaspiro[3.4]octan-6-yl)propanal.

Molecular Properties

Compound Name3-(7-oxo-5-oxa-6-azaspiro[3.4]octan-6-yl)propanal
PubChem CID105440496
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name3-(7-oxo-5-oxa-6-azaspiro[3.4]octan-6-yl)propanal
SMILESO=CCCN1OC2(CCC2)CC1=O
InChIInChI=1S/C9H13NO3/c11-6-2-5-10-8(12)7-9(13-10)3-1-4-9/h6H,1-5,7H2
InChIKeyNDNYSFSRXQLNSH-UHFFFAOYSA-N
XLogP0.66
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(7-oxo-5-oxa-6-azaspiro[3.4]octan-6-yl)propanal?
The IUPAC name of 3-(7-oxo-5-oxa-6-azaspiro[3.4]octan-6-yl)propanal (CID 105440496) is 3-(7-oxo-5-oxa-6-azaspiro[3.4]octan-6-yl)propanal.
What is the SMILES notation for 3-(7-oxo-5-oxa-6-azaspiro[3.4]octan-6-yl)propanal?
The canonical SMILES for 3-(7-oxo-5-oxa-6-azaspiro[3.4]octan-6-yl)propanal is O=CCCN1OC2(CCC2)CC1=O.
What is the InChIKey of 3-(7-oxo-5-oxa-6-azaspiro[3.4]octan-6-yl)propanal?
The InChIKey is NDNYSFSRXQLNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c11-6-2-5-10-8(12)7-9(13-10)3-1-4-9/h6H,1-5,7H2.
What are the key properties of 3-(7-oxo-5-oxa-6-azaspiro[3.4]octan-6-yl)propanal?
3-(7-oxo-5-oxa-6-azaspiro[3.4]octan-6-yl)propanal has a molecular weight of 183.21 g/mol, XLogP of 0.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-oxo-5-oxa-6-azaspiro[3.4]octan-6-yl)propanal is sourced from PubChem (CID 105440496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).