cis-(1R,2R)-2-(6-methoxy-3-pyridinyl)cyclopropane-1-carbaldehyde

C10H11NO2 — CID 130863052

IUPACcis-(1R,2R)-2-(6-methoxy-3-pyridinyl)cyclopropane-1-carbaldehyde
SMILESCOc1ccc([C@@H]2C[C@H]2C=O)cn1
InChIInChI=1S/C10H11NO2/c1-13-10-3-2-7(5-11-10)9-4-8(9)6-12/h2-3,5-6,8-9H,4H2,1H3/t8-,9-/m0/s1
InChIKeyWUTHSKUCQINFIF-IUCAKERBSA-N
MW177.20 g/mol
LogP1.39
Rot. Bonds3

About cis-(1R,2R)-2-(6-methoxy-3-pyridinyl)cyclopropane-1-carbaldehyde

cis-(1R,2R)-2-(6-methoxy-3-pyridinyl)cyclopropane-1-carbaldehyde (PubChem CID 130863052) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is cis-(1R,2R)-2-(6-methoxy-3-pyridinyl)cyclopropane-1-carbaldehyde.

Molecular Properties

Compound Namecis-(1R,2R)-2-(6-methoxy-3-pyridinyl)cyclopropane-1-carbaldehyde
PubChem CID130863052
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Namecis-(1R,2R)-2-(6-methoxy-3-pyridinyl)cyclopropane-1-carbaldehyde
SMILESCOc1ccc([C@@H]2C[C@H]2C=O)cn1
InChIInChI=1S/C10H11NO2/c1-13-10-3-2-7(5-11-10)9-4-8(9)6-12/h2-3,5-6,8-9H,4H2,1H3/t8-,9-/m0/s1
InChIKeyWUTHSKUCQINFIF-IUCAKERBSA-N
XLogP1.39
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(6-methoxy-3-pyridinyl)cyclopropane-1-carbaldehyde
CID 59988721
trans-(1R,2R)-2-(6-methoxy-3-pyridinyl)cyclopropane-1-carbonyl chloride
CID 129244238
5-(2-ethylcyclopropyl)-2-methoxypyridine
CID 59988749
4-(6-methoxy-3-pyridinyl)azetidin-2-one
CID 114938690
2-(3,4-dimethoxyphenyl)cyclopropane-1-carbaldehyde
CID 22347501
ethyl 2-[2-(6-methoxy-3-pyridinyl)cyclopropyl]acetate
CID 59988842
2-(6-methoxy-3-pyridinyl)piperidine-1-carbaldehyde
CID 102539308
2-[4-(methoxymethoxy)phenyl]cyclopropane-1-carbaldehyde
CID 75465285
4-(6-methoxy-3-pyridinyl)-3-(2-methylpropyl)piperidine-2,6-dione
CID 114938878
5-cyclopentyl-2-methoxypyridine
CID 102520175
ethane;2-(4-methylphenyl)cyclopropane-1-carbaldehyde
CID 142479351
4-(6-methoxy-3-pyridinyl)-2-oxopyrrolidine-3-carboxylic acid
CID 126643889

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-(6-methoxy-3-pyridinyl)cyclopropane-1-carbaldehyde?
The IUPAC name of cis-(1R,2R)-2-(6-methoxy-3-pyridinyl)cyclopropane-1-carbaldehyde (CID 130863052) is cis-(1R,2R)-2-(6-methoxy-3-pyridinyl)cyclopropane-1-carbaldehyde.
What is the SMILES notation for cis-(1R,2R)-2-(6-methoxy-3-pyridinyl)cyclopropane-1-carbaldehyde?
The canonical SMILES for cis-(1R,2R)-2-(6-methoxy-3-pyridinyl)cyclopropane-1-carbaldehyde is COc1ccc([C@@H]2C[C@H]2C=O)cn1.
What is the InChIKey of cis-(1R,2R)-2-(6-methoxy-3-pyridinyl)cyclopropane-1-carbaldehyde?
The InChIKey is WUTHSKUCQINFIF-IUCAKERBSA-N. The full InChI is InChI=1S/C10H11NO2/c1-13-10-3-2-7(5-11-10)9-4-8(9)6-12/h2-3,5-6,8-9H,4H2,1H3/t8-,9-/m0/s1.
What are the key properties of cis-(1R,2R)-2-(6-methoxy-3-pyridinyl)cyclopropane-1-carbaldehyde?
cis-(1R,2R)-2-(6-methoxy-3-pyridinyl)cyclopropane-1-carbaldehyde has a molecular weight of 177.20 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-(6-methoxy-3-pyridinyl)cyclopropane-1-carbaldehyde is sourced from PubChem (CID 130863052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).