3-(4-chlorophenyl)-1-cyclopropylpyrrolidine

C13H16ClN — CID 171633097

IUPAC3-(4-chlorophenyl)-1-cyclopropylpyrrolidine
SMILESClc1ccc(C2CCN(C3CC3)C2)cc1
InChIInChI=1S/C13H16ClN/c14-12-3-1-10(2-4-12)11-7-8-15(9-11)13-5-6-13/h1-4,11,13H,5-9H2
InChIKeyRRYVVNKSIOENNO-UHFFFAOYSA-N
MW221.73 g/mol
LogP3.29
Rot. Bonds2

About 3-(4-chlorophenyl)-1-cyclopropylpyrrolidine

3-(4-chlorophenyl)-1-cyclopropylpyrrolidine (PubChem CID 171633097) has the molecular formula C13H16ClN and a molecular weight of 221.73 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-cyclopropylpyrrolidine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-cyclopropylpyrrolidine
PubChem CID171633097
Molecular FormulaC13H16ClN
Molecular Weight221.73 g/mol
Exact Mass221.10
IUPAC Name3-(4-chlorophenyl)-1-cyclopropylpyrrolidine
SMILESClc1ccc(C2CCN(C3CC3)C2)cc1
InChIInChI=1S/C13H16ClN/c14-12-3-1-10(2-4-12)11-7-8-15(9-11)13-5-6-13/h1-4,11,13H,5-9H2
InChIKeyRRYVVNKSIOENNO-UHFFFAOYSA-N
XLogP3.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-1-cyclopentyl-3-phenylpyrrolidine
CID 97327940
5-(4-chlorophenyl)-1-methylpiperidine-2-thione
CID 12012178
2-amino-1-[3-(4-chlorophenyl)pyrrolidin-1-yl]ethanone
CID 83541941
(3R)-1-[1-(4-chlorophenyl)piperidin-4-yl]pyrrolidin-3-amine
CID 126445475
4-[4-(4-chlorophenyl)piperazin-1-yl]cyclohexan-1-ol
CID 114762371
2-[4-(4-chlorophenyl)piperidin-1-yl]-2-oxoacetic acid
CID 82134062
N-[[(3R)-3-(4-chlorophenyl)pyrrolidin-1-yl]sulfanylmethyl]ethanamine
CID 171633117
3-[4-(4-chlorophenyl)piperidin-1-yl]propan-1-amine
CID 82131800
1-cyclobutyl-4-(4-methylphenyl)piperidine
CID 118136109
1-cyclopentyl-4-(4-methylphenyl)piperidine
CID 118146215
(3R,9aR)-3-[(4-chlorophenyl)methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
CID 76964774
2-[3-(4-chlorophenyl)piperidin-1-yl]acetic acid
CID 131892982

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-cyclopropylpyrrolidine?
The IUPAC name of 3-(4-chlorophenyl)-1-cyclopropylpyrrolidine (CID 171633097) is 3-(4-chlorophenyl)-1-cyclopropylpyrrolidine.
What is the SMILES notation for 3-(4-chlorophenyl)-1-cyclopropylpyrrolidine?
The canonical SMILES for 3-(4-chlorophenyl)-1-cyclopropylpyrrolidine is Clc1ccc(C2CCN(C3CC3)C2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-1-cyclopropylpyrrolidine?
The InChIKey is RRYVVNKSIOENNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN/c14-12-3-1-10(2-4-12)11-7-8-15(9-11)13-5-6-13/h1-4,11,13H,5-9H2.
What are the key properties of 3-(4-chlorophenyl)-1-cyclopropylpyrrolidine?
3-(4-chlorophenyl)-1-cyclopropylpyrrolidine has a molecular weight of 221.73 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-cyclopropylpyrrolidine is sourced from PubChem (CID 171633097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).