cyclopropyl-[(2R)-1-phenylpyrrolidin-2-yl]methanone

C14H17NO — CID 173145770

IUPACcyclopropyl-[(2R)-1-phenylpyrrolidin-2-yl]methanone
SMILESO=C(C1CC1)[C@H]1CCCN1c1ccccc1
InChIInChI=1S/C14H17NO/c16-14(11-8-9-11)13-7-4-10-15(13)12-5-2-1-3-6-12/h1-3,5-6,11,13H,4,7-10H2/t13-/m1/s1
InChIKeyBNZQXDBGOBSAJH-CYBMUJFWSA-N
MW215.30 g/mol
LogP2.63
Rot. Bonds3

About cyclopropyl-[(2R)-1-phenylpyrrolidin-2-yl]methanone

cyclopropyl-[(2R)-1-phenylpyrrolidin-2-yl]methanone (PubChem CID 173145770) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is cyclopropyl-[(2R)-1-phenylpyrrolidin-2-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[(2R)-1-phenylpyrrolidin-2-yl]methanone
PubChem CID173145770
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Namecyclopropyl-[(2R)-1-phenylpyrrolidin-2-yl]methanone
SMILESO=C(C1CC1)[C@H]1CCCN1c1ccccc1
InChIInChI=1S/C14H17NO/c16-14(11-8-9-11)13-7-4-10-15(13)12-5-2-1-3-6-12/h1-3,5-6,11,13H,4,7-10H2/t13-/m1/s1
InChIKeyBNZQXDBGOBSAJH-CYBMUJFWSA-N
XLogP2.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-4-oxo-4-(1-phenylpyrrolidin-2-yl)but-2-enoic acid
CID 174437161
N-(diaminomethylidene)-1-phenylpyrrolidine-2-carboxamide
CID 54358653
3-methyl-1-(1-phenylpyrrolidin-2-yl)butan-1-one
CID 132966507
[(2S)-1-phenylpyrrolidine-2-carbonyl] sulfite
CID 91386737
(2S)-1-phenylazetidine-2-carboxylic acid
CID 57017156
ethyl 4-(1-phenylpyrrolidine-2-carbonyl)piperazine-1-carboxylate
CID 15158260
(2S)-1-(4-methylphenyl)pyrrolidine-2-carboxylic acid
CID 131562941
1-phenylpiperidine-2,4-dicarboxylic acid
CID 174902187
1-[4-(2-phenylethynyl)phenyl]pyrrolidine-2-carboxamide
CID 142766812
(2S)-1-(3-methoxyphenyl)pyrrolidine-2-carboxylic acid
CID 66924554
4-(1-phenylpyrrolidine-2-carbonyl)piperazin-2-one
CID 136537548
[4-(2-phenylethyl)piperazin-1-yl]-(1-phenylpyrrolidin-2-yl)methanone
CID 15158262

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(2R)-1-phenylpyrrolidin-2-yl]methanone?
The IUPAC name of cyclopropyl-[(2R)-1-phenylpyrrolidin-2-yl]methanone (CID 173145770) is cyclopropyl-[(2R)-1-phenylpyrrolidin-2-yl]methanone.
What is the SMILES notation for cyclopropyl-[(2R)-1-phenylpyrrolidin-2-yl]methanone?
The canonical SMILES for cyclopropyl-[(2R)-1-phenylpyrrolidin-2-yl]methanone is O=C(C1CC1)[C@H]1CCCN1c1ccccc1.
What is the InChIKey of cyclopropyl-[(2R)-1-phenylpyrrolidin-2-yl]methanone?
The InChIKey is BNZQXDBGOBSAJH-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H17NO/c16-14(11-8-9-11)13-7-4-10-15(13)12-5-2-1-3-6-12/h1-3,5-6,11,13H,4,7-10H2/t13-/m1/s1.
What are the key properties of cyclopropyl-[(2R)-1-phenylpyrrolidin-2-yl]methanone?
cyclopropyl-[(2R)-1-phenylpyrrolidin-2-yl]methanone has a molecular weight of 215.30 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(2R)-1-phenylpyrrolidin-2-yl]methanone is sourced from PubChem (CID 173145770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).