cyclopropyl-[1-(1-phenylethyl)pyrrolidin-3-yl]methanone

C16H21NO — CID 22633923

IUPACcyclopropyl-[1-(1-phenylethyl)pyrrolidin-3-yl]methanone
SMILESCC(c1ccccc1)N1CCC(C(=O)C2CC2)C1
InChIInChI=1S/C16H21NO/c1-12(13-5-3-2-4-6-13)17-10-9-15(11-17)16(18)14-7-8-14/h2-6,12,14-15H,7-11H2,1H3
InChIKeyDKCPRYMLMZJKSI-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.05
Rot. Bonds4

About cyclopropyl-[1-(1-phenylethyl)pyrrolidin-3-yl]methanone

cyclopropyl-[1-(1-phenylethyl)pyrrolidin-3-yl]methanone (PubChem CID 22633923) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is cyclopropyl-[1-(1-phenylethyl)pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[1-(1-phenylethyl)pyrrolidin-3-yl]methanone
PubChem CID22633923
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Namecyclopropyl-[1-(1-phenylethyl)pyrrolidin-3-yl]methanone
SMILESCC(c1ccccc1)N1CCC(C(=O)C2CC2)C1
InChIInChI=1S/C16H21NO/c1-12(13-5-3-2-4-6-13)17-10-9-15(11-17)16(18)14-7-8-14/h2-6,12,14-15H,7-11H2,1H3
InChIKeyDKCPRYMLMZJKSI-UHFFFAOYSA-N
XLogP3.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(NZ)-N-[1-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]ethylidene]hydroxylamine
CID 87377197
1-(1-phenylethyl)azetidine-3-carboxylic acid
CID 65071589
1-[(1S)-1-phenylethyl]pyrrolidin-3-ol
CID 69382807
cyclopropyl-(1-propan-2-ylpyrrolidin-3-yl)methanone
CID 58803042
(3R)-1-[(1S)-1-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 124677629
1-[1-(3-methylphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 65066608
2-methyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]propanamide
CID 47070507
2-methyl-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 94197653
N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 98726634
2-[[1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]methoxy]acetic acid
CID 18396255
(3R)-1-[(1S)-1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 124677617
N-ethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]acetamide
CID 51091141

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[1-(1-phenylethyl)pyrrolidin-3-yl]methanone?
The IUPAC name of cyclopropyl-[1-(1-phenylethyl)pyrrolidin-3-yl]methanone (CID 22633923) is cyclopropyl-[1-(1-phenylethyl)pyrrolidin-3-yl]methanone.
What is the SMILES notation for cyclopropyl-[1-(1-phenylethyl)pyrrolidin-3-yl]methanone?
The canonical SMILES for cyclopropyl-[1-(1-phenylethyl)pyrrolidin-3-yl]methanone is CC(c1ccccc1)N1CCC(C(=O)C2CC2)C1.
What is the InChIKey of cyclopropyl-[1-(1-phenylethyl)pyrrolidin-3-yl]methanone?
The InChIKey is DKCPRYMLMZJKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-12(13-5-3-2-4-6-13)17-10-9-15(11-17)16(18)14-7-8-14/h2-6,12,14-15H,7-11H2,1H3.
What are the key properties of cyclopropyl-[1-(1-phenylethyl)pyrrolidin-3-yl]methanone?
cyclopropyl-[1-(1-phenylethyl)pyrrolidin-3-yl]methanone has a molecular weight of 243.35 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[1-(1-phenylethyl)pyrrolidin-3-yl]methanone is sourced from PubChem (CID 22633923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).