4,7-diazaspiro[2.5]octane-4-carbaldehyde

C7H12N2O — CID 142744733

IUPAC4,7-diazaspiro[2.5]octane-4-carbaldehyde
SMILESO=CN1CCNCC12CC2
InChIInChI=1S/C7H12N2O/c10-6-9-4-3-8-5-7(9)1-2-7/h6,8H,1-5H2
InChIKeySLMIDVYJQULAQF-UHFFFAOYSA-N
MW140.19 g/mol
LogP-0.42
Rot. Bonds1

About 4,7-diazaspiro[2.5]octane-4-carbaldehyde

4,7-diazaspiro[2.5]octane-4-carbaldehyde (PubChem CID 142744733) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 4,7-diazaspiro[2.5]octane-4-carbaldehyde.

Molecular Properties

Compound Name4,7-diazaspiro[2.5]octane-4-carbaldehyde
PubChem CID142744733
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name4,7-diazaspiro[2.5]octane-4-carbaldehyde
SMILESO=CN1CCNCC12CC2
InChIInChI=1S/C7H12N2O/c10-6-9-4-3-8-5-7(9)1-2-7/h6,8H,1-5H2
InChIKeySLMIDVYJQULAQF-UHFFFAOYSA-N
XLogP-0.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,7-Diazaspiro[2.5]octane-7-carbonyl fluoride
CID 177766895
1-(4,7-Diazaspiro[2.5]octan-4-yl)ethanone
CID 18972324
3-Ethylpiperazine-1-carbaldehyde
CID 19985624
3-(2-Aminoethyl)piperazine-1-carbaldehyde
CID 20336856
2-Ethylpiperazine-1-carbaldehyde
CID 22614369
3,3-Dimethylpiperazine-1-carbaldehyde
CID 82993949
2-Cyclopropylpiperazine-1-carbaldehyde
CID 87187769
N-[1-(aminomethyl)cyclopropyl]formamide
CID 87444117
4,7-Diazaspiro[2.5]octane-7-carboxylic acid
CID 89157543
2,2-Dimethylpiperazine-1-carbaldehyde
CID 91563486
2,2-Dimethylpiperazine-1-carbaldehyde;hydrochloride
CID 122574070
4,7-Diazaspiro[2.5]octane-4-carboxylic acid
CID 126753693

Frequently Asked Questions

What is the IUPAC name of 4,7-diazaspiro[2.5]octane-4-carbaldehyde?
The IUPAC name of 4,7-diazaspiro[2.5]octane-4-carbaldehyde (CID 142744733) is 4,7-diazaspiro[2.5]octane-4-carbaldehyde.
What is the SMILES notation for 4,7-diazaspiro[2.5]octane-4-carbaldehyde?
The canonical SMILES for 4,7-diazaspiro[2.5]octane-4-carbaldehyde is O=CN1CCNCC12CC2.
What is the InChIKey of 4,7-diazaspiro[2.5]octane-4-carbaldehyde?
The InChIKey is SLMIDVYJQULAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c10-6-9-4-3-8-5-7(9)1-2-7/h6,8H,1-5H2.
What are the key properties of 4,7-diazaspiro[2.5]octane-4-carbaldehyde?
4,7-diazaspiro[2.5]octane-4-carbaldehyde has a molecular weight of 140.19 g/mol, XLogP of -0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-diazaspiro[2.5]octane-4-carbaldehyde is sourced from PubChem (CID 142744733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).