3-pyridin-2-ylpropyl 2,2,3,3-tetramethylcyclopropane-1-carboxylate

C16H23NO2 — CID 11161308

IUPAC3-pyridin-2-ylpropyl 2,2,3,3-tetramethylcyclopropane-1-carboxylate
SMILESCC1(C)C(C(=O)OCCCc2ccccn2)C1(C)C
InChIInChI=1S/C16H23NO2/c1-15(2)13(16(15,3)4)14(18)19-11-7-9-12-8-5-6-10-17-12/h5-6,8,10,13H,7,9,11H2,1-4H3
InChIKeyWGMPCKKZOKHHNW-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.24
Rot. Bonds5

About 3-pyridin-2-ylpropyl 2,2,3,3-tetramethylcyclopropane-1-carboxylate

3-pyridin-2-ylpropyl 2,2,3,3-tetramethylcyclopropane-1-carboxylate (PubChem CID 11161308) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 3-pyridin-2-ylpropyl 2,2,3,3-tetramethylcyclopropane-1-carboxylate.

Molecular Properties

Compound Name3-pyridin-2-ylpropyl 2,2,3,3-tetramethylcyclopropane-1-carboxylate
PubChem CID11161308
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name3-pyridin-2-ylpropyl 2,2,3,3-tetramethylcyclopropane-1-carboxylate
SMILESCC1(C)C(C(=O)OCCCc2ccccn2)C1(C)C
InChIInChI=1S/C16H23NO2/c1-15(2)13(16(15,3)4)14(18)19-11-7-9-12-8-5-6-10-17-12/h5-6,8,10,13H,7,9,11H2,1-4H3
InChIKeyWGMPCKKZOKHHNW-UHFFFAOYSA-N
XLogP3.24
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2,3,3-tetramethyl-N-(4-pyridin-2-ylbutyl)cyclopropane-1-carboxamide
CID 11173396
bis(3-pyridin-2-ylpropyl) benzene-1,4-dicarboxylate
CID 71416852
3-pyridin-2-ylpropyl benzoate
CID 13206388
2-pyridin-2-ylethyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 11174458
3-pyridin-2-ylpropyl hydrogen sulfate
CID 88630497
bis(3-pyridin-2-ylpropyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 25140294
ethyl 12-pyridin-2-yldodecanoate
CID 3298183
N-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-4-pyridin-2-ylbutanamide
CID 95906524
2-(14-pyridin-2-yltetradecyl)pyridine
CID 10594187
2-(3-pyridin-2-ylpropyl)benzamide
CID 173328031
3-pyridin-2-ylpropyl 4-(2-methylphenyl)piperazine-1-carboxylate
CID 6733850
2-pyridin-2-ylethyl 2-sulfanylacetate
CID 71772265

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-ylpropyl 2,2,3,3-tetramethylcyclopropane-1-carboxylate?
The IUPAC name of 3-pyridin-2-ylpropyl 2,2,3,3-tetramethylcyclopropane-1-carboxylate (CID 11161308) is 3-pyridin-2-ylpropyl 2,2,3,3-tetramethylcyclopropane-1-carboxylate.
What is the SMILES notation for 3-pyridin-2-ylpropyl 2,2,3,3-tetramethylcyclopropane-1-carboxylate?
The canonical SMILES for 3-pyridin-2-ylpropyl 2,2,3,3-tetramethylcyclopropane-1-carboxylate is CC1(C)C(C(=O)OCCCc2ccccn2)C1(C)C.
What is the InChIKey of 3-pyridin-2-ylpropyl 2,2,3,3-tetramethylcyclopropane-1-carboxylate?
The InChIKey is WGMPCKKZOKHHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-15(2)13(16(15,3)4)14(18)19-11-7-9-12-8-5-6-10-17-12/h5-6,8,10,13H,7,9,11H2,1-4H3.
What are the key properties of 3-pyridin-2-ylpropyl 2,2,3,3-tetramethylcyclopropane-1-carboxylate?
3-pyridin-2-ylpropyl 2,2,3,3-tetramethylcyclopropane-1-carboxylate has a molecular weight of 261.36 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-ylpropyl 2,2,3,3-tetramethylcyclopropane-1-carboxylate is sourced from PubChem (CID 11161308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).