1-(pyridin-3-ylmethyl)cyclopropane-1-carbaldehyde

C10H11NO — CID 131187567

IUPAC1-(pyridin-3-ylmethyl)cyclopropane-1-carbaldehyde
SMILESO=CC1(Cc2cccnc2)CC1
InChIInChI=1S/C10H11NO/c12-8-10(3-4-10)6-9-2-1-5-11-7-9/h1-2,5,7-8H,3-4,6H2
InChIKeySNAUXZUBAUFSIH-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.60
Rot. Bonds3

About 1-(pyridin-3-ylmethyl)cyclopropane-1-carbaldehyde

1-(pyridin-3-ylmethyl)cyclopropane-1-carbaldehyde (PubChem CID 131187567) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 1-(pyridin-3-ylmethyl)cyclopropane-1-carbaldehyde.

Molecular Properties

Compound Name1-(pyridin-3-ylmethyl)cyclopropane-1-carbaldehyde
PubChem CID131187567
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name1-(pyridin-3-ylmethyl)cyclopropane-1-carbaldehyde
SMILESO=CC1(Cc2cccnc2)CC1
InChIInChI=1S/C10H11NO/c12-8-10(3-4-10)6-9-2-1-5-11-7-9/h1-2,5,7-8H,3-4,6H2
InChIKeySNAUXZUBAUFSIH-UHFFFAOYSA-N
XLogP1.60
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.60
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-3-ylmethyl)cyclopropyl]methanamine;dihydrochloride
CID 86277054
2,2-dimethyl-1-(pyridin-3-ylmethyl)cyclopentan-1-amine
CID 104735918
4-(pyridin-3-ylmethyl)piperidin-4-amine
CID 86277721
1-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 162146330
3-(pyridin-3-ylmethyl)pyridine
CID 14762640
8-(pyridin-3-ylmethyl)spiro[4.5]decan-8-ol
CID 114819218
3-[(3-fluoroazetidin-3-yl)methyl]pyridine
CID 104737448
4-amino-4-(pyridin-3-ylmethyl)piperidine-1-carboxylic acid
CID 166652941
2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-naphthalen-2-amine
CID 113446872
3-benzylpyridine;formic acid
CID 174503454
4-methyl-1-(pyridin-3-ylmethyl)cyclohexane-1-carboxylic acid
CID 79425432
2-pyridin-3-ylacetyl chloride
CID 14697475

Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-3-ylmethyl)cyclopropane-1-carbaldehyde?
The IUPAC name of 1-(pyridin-3-ylmethyl)cyclopropane-1-carbaldehyde (CID 131187567) is 1-(pyridin-3-ylmethyl)cyclopropane-1-carbaldehyde.
What is the SMILES notation for 1-(pyridin-3-ylmethyl)cyclopropane-1-carbaldehyde?
The canonical SMILES for 1-(pyridin-3-ylmethyl)cyclopropane-1-carbaldehyde is O=CC1(Cc2cccnc2)CC1.
What is the InChIKey of 1-(pyridin-3-ylmethyl)cyclopropane-1-carbaldehyde?
The InChIKey is SNAUXZUBAUFSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c12-8-10(3-4-10)6-9-2-1-5-11-7-9/h1-2,5,7-8H,3-4,6H2.
What are the key properties of 1-(pyridin-3-ylmethyl)cyclopropane-1-carbaldehyde?
1-(pyridin-3-ylmethyl)cyclopropane-1-carbaldehyde has a molecular weight of 161.20 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-3-ylmethyl)cyclopropane-1-carbaldehyde is sourced from PubChem (CID 131187567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).