ethyl 1-(6-pyrrolidin-1-yl-3-pyridinyl)cyclopropane-1-carboxylate

C15H20N2O2 — CID 66661814

IUPACethyl 1-(6-pyrrolidin-1-yl-3-pyridinyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(c2ccc(N3CCCC3)nc2)CC1
InChIInChI=1S/C15H20N2O2/c1-2-19-14(18)15(7-8-15)12-5-6-13(16-11-12)17-9-3-4-10-17/h5-6,11H,2-4,7-10H2,1H3
InChIKeyUWUHFXJFTMZQIE-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.28
Rot. Bonds4

About ethyl 1-(6-pyrrolidin-1-yl-3-pyridinyl)cyclopropane-1-carboxylate

ethyl 1-(6-pyrrolidin-1-yl-3-pyridinyl)cyclopropane-1-carboxylate (PubChem CID 66661814) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is ethyl 1-(6-pyrrolidin-1-yl-3-pyridinyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(6-pyrrolidin-1-yl-3-pyridinyl)cyclopropane-1-carboxylate
PubChem CID66661814
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Nameethyl 1-(6-pyrrolidin-1-yl-3-pyridinyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(c2ccc(N3CCCC3)nc2)CC1
InChIInChI=1S/C15H20N2O2/c1-2-19-14(18)15(7-8-15)12-5-6-13(16-11-12)17-9-3-4-10-17/h5-6,11H,2-4,7-10H2,1H3
InChIKeyUWUHFXJFTMZQIE-UHFFFAOYSA-N
XLogP2.28
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[6-[4-(2,2-dimethylpropanoyloxy)piperazin-1-yl]-3-pyridinyl]cyclopropane-1-carboxylate
CID 174520511
1-[6-(azetidin-1-yl)-3-pyridinyl]cyclopropane-1-carboxylic acid
CID 66661793
ethyl 1-[6-(iodoamino)-3-pyridinyl]cyclopropane-1-carboxylate
CID 134605040
ethyl 6-[4-(5-ethoxycarbonyl-2-pyridinyl)-1,4-diazepan-1-yl]pyridine-3-carboxylate
CID 32800544
ethyl 1-(4-methylphenyl)cyclopropane-1-carboxylate
CID 105456293
ethyl N-(6-piperidin-1-yl-3-pyridinyl)carbamate
CID 60715583
ethyl 1-(4-methylphenyl)cyclopentane-1-carboxylate
CID 15029975
ethyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate
CID 14774392
ethyl 1-(5-amino-2-pyridinyl)azocane-5-carboxylate
CID 144600760
ethyl 4-[5-[1-[(1R)-3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carbonyl]cyclopropyl]-2-pyridinyl]piperazine-1-carboxylate
CID 66661914
ethyl 1-(4-ethoxyphenyl)cyclobutane-1-carboxylate
CID 71404430
ethyl 1-(3,4-dichlorophenyl)cyclopropane-1-carboxylate
CID 105426581

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(6-pyrrolidin-1-yl-3-pyridinyl)cyclopropane-1-carboxylate?
The IUPAC name of ethyl 1-(6-pyrrolidin-1-yl-3-pyridinyl)cyclopropane-1-carboxylate (CID 66661814) is ethyl 1-(6-pyrrolidin-1-yl-3-pyridinyl)cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 1-(6-pyrrolidin-1-yl-3-pyridinyl)cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 1-(6-pyrrolidin-1-yl-3-pyridinyl)cyclopropane-1-carboxylate is CCOC(=O)C1(c2ccc(N3CCCC3)nc2)CC1.
What is the InChIKey of ethyl 1-(6-pyrrolidin-1-yl-3-pyridinyl)cyclopropane-1-carboxylate?
The InChIKey is UWUHFXJFTMZQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-2-19-14(18)15(7-8-15)12-5-6-13(16-11-12)17-9-3-4-10-17/h5-6,11H,2-4,7-10H2,1H3.
What are the key properties of ethyl 1-(6-pyrrolidin-1-yl-3-pyridinyl)cyclopropane-1-carboxylate?
ethyl 1-(6-pyrrolidin-1-yl-3-pyridinyl)cyclopropane-1-carboxylate has a molecular weight of 260.34 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(6-pyrrolidin-1-yl-3-pyridinyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 66661814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).