3-(azetidin-1-yl)pyrrolidine-1-carbaldehyde

C8H14N2O — CID 156595075

IUPAC3-(azetidin-1-yl)pyrrolidine-1-carbaldehyde
SMILESO=CN1CCC(N2CCC2)C1
InChIInChI=1S/C8H14N2O/c11-7-9-5-2-8(6-9)10-3-1-4-10/h7-8H,1-6H2
InChIKeyXDUSSJMZIQQDDV-UHFFFAOYSA-N
MW154.21 g/mol
LogP-0.08
Rot. Bonds2

About 3-(azetidin-1-yl)pyrrolidine-1-carbaldehyde

3-(azetidin-1-yl)pyrrolidine-1-carbaldehyde (PubChem CID 156595075) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 3-(azetidin-1-yl)pyrrolidine-1-carbaldehyde.

Molecular Properties

Compound Name3-(azetidin-1-yl)pyrrolidine-1-carbaldehyde
PubChem CID156595075
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name3-(azetidin-1-yl)pyrrolidine-1-carbaldehyde
SMILESO=CN1CCC(N2CCC2)C1
InChIInChI=1S/C8H14N2O/c11-7-9-5-2-8(6-9)10-3-1-4-10/h7-8H,1-6H2
InChIKeyXDUSSJMZIQQDDV-UHFFFAOYSA-N
XLogP-0.08
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-pyrrolidin-1-ylpyrrolidine-1-carbaldehyde
CID 87225922
3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)prop-2-enoic acid
CID 79896700
(3S)-3-fluoropyrrolidine-1-carbaldehyde
CID 118450648
ethane;4-morpholin-4-ylpiperidine-1-carbaldehyde
CID 142506557
3-hydroxypyrrolidine-1-carbaldehyde
CID 14456871
4-(4-ethylpiperazin-1-yl)piperidine-1-carbaldehyde
CID 138683529
piperidine-1,3-dicarbaldehyde
CID 143116896
1-[(3S)-3-(azetidin-1-yl)pyrrolidin-1-yl]prop-2-en-1-one
CID 177022778
3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)propanal
CID 63150721
1-formylpyrrolidine-3-carbonitrile
CID 87315221
(3R)-1-formylpyrrolidine-3-carboxylic acid
CID 90895028
3-(hydroxymethyl)pyrrolidine-1-carbaldehyde
CID 62372559

Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-1-yl)pyrrolidine-1-carbaldehyde?
The IUPAC name of 3-(azetidin-1-yl)pyrrolidine-1-carbaldehyde (CID 156595075) is 3-(azetidin-1-yl)pyrrolidine-1-carbaldehyde.
What is the SMILES notation for 3-(azetidin-1-yl)pyrrolidine-1-carbaldehyde?
The canonical SMILES for 3-(azetidin-1-yl)pyrrolidine-1-carbaldehyde is O=CN1CCC(N2CCC2)C1.
What is the InChIKey of 3-(azetidin-1-yl)pyrrolidine-1-carbaldehyde?
The InChIKey is XDUSSJMZIQQDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c11-7-9-5-2-8(6-9)10-3-1-4-10/h7-8H,1-6H2.
What are the key properties of 3-(azetidin-1-yl)pyrrolidine-1-carbaldehyde?
3-(azetidin-1-yl)pyrrolidine-1-carbaldehyde has a molecular weight of 154.21 g/mol, XLogP of -0.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-1-yl)pyrrolidine-1-carbaldehyde is sourced from PubChem (CID 156595075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).