methyl 1-(1-phenylcyclopropanecarbonyl)pyrrolidine-3-carboxylate

C16H19NO3 — CID 78968034

IUPACmethyl 1-(1-phenylcyclopropanecarbonyl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(C(=O)C2(c3ccccc3)CC2)C1
InChIInChI=1S/C16H19NO3/c1-20-14(18)12-7-10-17(11-12)15(19)16(8-9-16)13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3
InChIKeyHQTXEJBRSYCLPU-UHFFFAOYSA-N
MW273.33 g/mol
LogP1.74
Rot. Bonds3

About methyl 1-(1-phenylcyclopropanecarbonyl)pyrrolidine-3-carboxylate

methyl 1-(1-phenylcyclopropanecarbonyl)pyrrolidine-3-carboxylate (PubChem CID 78968034) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is methyl 1-(1-phenylcyclopropanecarbonyl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(1-phenylcyclopropanecarbonyl)pyrrolidine-3-carboxylate
PubChem CID78968034
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Namemethyl 1-(1-phenylcyclopropanecarbonyl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(C(=O)C2(c3ccccc3)CC2)C1
InChIInChI=1S/C16H19NO3/c1-20-14(18)12-7-10-17(11-12)15(19)16(8-9-16)13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3
InChIKeyHQTXEJBRSYCLPU-UHFFFAOYSA-N
XLogP1.74
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-[1-(4-chlorophenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylate
CID 112733543
[1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 71876645
[(3R)-3-hydroxypyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 66262419
(3-chloropyrrolidin-1-yl)-(1-phenylcyclopropyl)methanone
CID 63394917
(4-amino-3-ethylpiperidin-1-yl)-(1-phenylcyclopropyl)methanone
CID 81457070
[4-(methylamino)piperidin-1-yl]-(1-phenylcyclopropyl)methanone;hydrochloride
CID 119560283
[(3S)-3-aminopyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone;hydrochloride
CID 119934201
(4-bromo-3-methylpiperidin-1-yl)-(1-phenylcyclopropyl)methanone
CID 114683504
ethane;(4-methylpiperidin-1-yl)-(1-phenylcyclopropyl)methanone
CID 144893493
(1-phenylcyclopropyl)-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 71929478
1-(1-ethylsulfonyl-4-phenylpiperidine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 119354000
2-[2-(3-methoxycarbonylpyrrolidin-1-yl)-2-oxoethyl]benzoic acid
CID 104601679

Frequently Asked Questions

What is the IUPAC name of methyl 1-(1-phenylcyclopropanecarbonyl)pyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-(1-phenylcyclopropanecarbonyl)pyrrolidine-3-carboxylate (CID 78968034) is methyl 1-(1-phenylcyclopropanecarbonyl)pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-(1-phenylcyclopropanecarbonyl)pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-(1-phenylcyclopropanecarbonyl)pyrrolidine-3-carboxylate is COC(=O)C1CCN(C(=O)C2(c3ccccc3)CC2)C1.
What is the InChIKey of methyl 1-(1-phenylcyclopropanecarbonyl)pyrrolidine-3-carboxylate?
The InChIKey is HQTXEJBRSYCLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-20-14(18)12-7-10-17(11-12)15(19)16(8-9-16)13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3.
What are the key properties of methyl 1-(1-phenylcyclopropanecarbonyl)pyrrolidine-3-carboxylate?
methyl 1-(1-phenylcyclopropanecarbonyl)pyrrolidine-3-carboxylate has a molecular weight of 273.33 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(1-phenylcyclopropanecarbonyl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 78968034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).