6-formyl-2,6-diazaspiro[3.4]octane-8-carboxamide

C8H13N3O2 — CID 170755518

IUPAC6-formyl-2,6-diazaspiro[3.4]octane-8-carboxamide
SMILESNC(=O)C1CN(C=O)CC12CNC2
InChIInChI=1S/C8H13N3O2/c9-7(13)6-1-11(5-12)4-8(6)2-10-3-8/h5-6,10H,1-4H2,(H2,9,13)
InChIKeyKHEXHZHQYQIXNC-UHFFFAOYSA-N
MW183.21 g/mol
LogP-1.85
Rot. Bonds2

About 6-formyl-2,6-diazaspiro[3.4]octane-8-carboxamide

6-formyl-2,6-diazaspiro[3.4]octane-8-carboxamide (PubChem CID 170755518) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 6-formyl-2,6-diazaspiro[3.4]octane-8-carboxamide.

Molecular Properties

Compound Name6-formyl-2,6-diazaspiro[3.4]octane-8-carboxamide
PubChem CID170755518
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name6-formyl-2,6-diazaspiro[3.4]octane-8-carboxamide
SMILESNC(=O)C1CN(C=O)CC12CNC2
InChIInChI=1S/C8H13N3O2/c9-7(13)6-1-11(5-12)4-8(6)2-10-3-8/h5-6,10H,1-4H2,(H2,9,13)
InChIKeyKHEXHZHQYQIXNC-UHFFFAOYSA-N
XLogP-1.85
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-1.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7,7,9-trimethyl-2-azaspiro[4.5]decane-4-carboxamide
CID 114487107
8-propan-2-yl-2-azaspiro[4.5]decane-4-carboxamide
CID 114486977
1-(5-azaspiro[2.3]hexan-2-yl)ethanone
CID 84647837
(1R,5S)-1,5-dimethyl-9-oxo-3,7-diazabicyclo[3.3.1]nonane-3-carbaldehyde
CID 38999805
8-azaspiro[4.5]decane-4-carboxamide
CID 69178450
8-ethyl-2-azaspiro[4.4]nonane-4-carboxamide
CID 114487091
4-ethyl-4-propan-2-ylpyrrolidine-3-carboxamide
CID 114486997
4-cyclopropyl-4-methylpyrrolidine-3-carboxamide
CID 114486962
7,7-dimethylspiro[2.5]octane-2-carboxamide
CID 91525320
ethyl 2-[N-methylidene-N'-[(Z)-prop-1-enyl]carbamimidoyl]-2,7-diazaspiro[3.4]octane-5-carboxylate
CID 170756372
3-amino-4-hydroxypyrrolidine-1-carbaldehyde
CID 135165674
2,6-diazaspiro[3.3]heptane-2-carbothioic S-acid
CID 170787306

Frequently Asked Questions

What is the IUPAC name of 6-formyl-2,6-diazaspiro[3.4]octane-8-carboxamide?
The IUPAC name of 6-formyl-2,6-diazaspiro[3.4]octane-8-carboxamide (CID 170755518) is 6-formyl-2,6-diazaspiro[3.4]octane-8-carboxamide.
What is the SMILES notation for 6-formyl-2,6-diazaspiro[3.4]octane-8-carboxamide?
The canonical SMILES for 6-formyl-2,6-diazaspiro[3.4]octane-8-carboxamide is NC(=O)C1CN(C=O)CC12CNC2.
What is the InChIKey of 6-formyl-2,6-diazaspiro[3.4]octane-8-carboxamide?
The InChIKey is KHEXHZHQYQIXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c9-7(13)6-1-11(5-12)4-8(6)2-10-3-8/h5-6,10H,1-4H2,(H2,9,13).
What are the key properties of 6-formyl-2,6-diazaspiro[3.4]octane-8-carboxamide?
6-formyl-2,6-diazaspiro[3.4]octane-8-carboxamide has a molecular weight of 183.21 g/mol, XLogP of -1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-formyl-2,6-diazaspiro[3.4]octane-8-carboxamide is sourced from PubChem (CID 170755518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).