1-(pyridin-2-ylmethyl)cyclobutane-1-carbaldehyde

C11H13NO — CID 130680563

IUPAC1-(pyridin-2-ylmethyl)cyclobutane-1-carbaldehyde
SMILESO=CC1(Cc2ccccn2)CCC1
InChIInChI=1S/C11H13NO/c13-9-11(5-3-6-11)8-10-4-1-2-7-12-10/h1-2,4,7,9H,3,5-6,8H2
InChIKeyYZMLEWAXYSRJNS-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.99
Rot. Bonds3

About 1-(pyridin-2-ylmethyl)cyclobutane-1-carbaldehyde

1-(pyridin-2-ylmethyl)cyclobutane-1-carbaldehyde (PubChem CID 130680563) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 1-(pyridin-2-ylmethyl)cyclobutane-1-carbaldehyde.

Molecular Properties

Compound Name1-(pyridin-2-ylmethyl)cyclobutane-1-carbaldehyde
PubChem CID130680563
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name1-(pyridin-2-ylmethyl)cyclobutane-1-carbaldehyde
SMILESO=CC1(Cc2ccccn2)CCC1
InChIInChI=1S/C11H13NO/c13-9-11(5-3-6-11)8-10-4-1-2-7-12-10/h1-2,4,7,9H,3,5-6,8H2
InChIKeyYZMLEWAXYSRJNS-UHFFFAOYSA-N
XLogP1.99
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.99
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

1-(pyridin-2-ylmethyl)cyclobutan-1-ol
CID 79081302
1-[[methyl(2-pyridin-2-ylethyl)amino]methyl]cyclohexane-1-carbaldehyde
CID 62276380
1-(pyridin-2-ylmethyl)cyclopropan-1-amine
CID 59327087
2-[1-(pyridin-2-ylmethyl)cyclopropyl]acetic acid
CID 82403496
2-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid
CID 53398196
methyl 1-(pyridin-2-ylmethyl)cyclopropane-1-carboxylate
CID 116929876
2-methyl-2-(pyridin-2-ylmethyl)azepane
CID 79118895
2-(1-adamantylmethyl)pyridine
CID 584969
2-[(3-fluoroazetidin-3-yl)methyl]pyridine
CID 112563329
ethane;N-(pyridin-2-ylmethyl)formamide
CID 144535996
1-(2-pyridin-2-ylethylamino)cyclobutane-1-carboxylic acid
CID 81166918
3-ethyl-1-(pyridin-2-ylmethyl)cyclopentane-1-carboxylic acid
CID 79428964

Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-2-ylmethyl)cyclobutane-1-carbaldehyde?
The IUPAC name of 1-(pyridin-2-ylmethyl)cyclobutane-1-carbaldehyde (CID 130680563) is 1-(pyridin-2-ylmethyl)cyclobutane-1-carbaldehyde.
What is the SMILES notation for 1-(pyridin-2-ylmethyl)cyclobutane-1-carbaldehyde?
The canonical SMILES for 1-(pyridin-2-ylmethyl)cyclobutane-1-carbaldehyde is O=CC1(Cc2ccccn2)CCC1.
What is the InChIKey of 1-(pyridin-2-ylmethyl)cyclobutane-1-carbaldehyde?
The InChIKey is YZMLEWAXYSRJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c13-9-11(5-3-6-11)8-10-4-1-2-7-12-10/h1-2,4,7,9H,3,5-6,8H2.
What are the key properties of 1-(pyridin-2-ylmethyl)cyclobutane-1-carbaldehyde?
1-(pyridin-2-ylmethyl)cyclobutane-1-carbaldehyde has a molecular weight of 175.23 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-2-ylmethyl)cyclobutane-1-carbaldehyde is sourced from PubChem (CID 130680563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).