[1-(4-chlorophenyl)cyclopropyl]-[(3R)-3-phenylpyrrolidin-1-yl]methanone

C20H20ClNO — CID 66661845

IUPAC[1-(4-chlorophenyl)cyclopropyl]-[(3R)-3-phenylpyrrolidin-1-yl]methanone
SMILESO=C(N1CC[C@H](c2ccccc2)C1)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H20ClNO/c21-18-8-6-17(7-9-18)20(11-12-20)19(23)22-13-10-16(14-22)15-4-2-1-3-5-15/h1-9,16H,10-14H2/t16-/m0/s1
InChIKeyKKRCWEICXMGION-INIZCTEOSA-N
MW325.84 g/mol
LogP4.39
Rot. Bonds3

About [1-(4-chlorophenyl)cyclopropyl]-[(3R)-3-phenylpyrrolidin-1-yl]methanone

[1-(4-chlorophenyl)cyclopropyl]-[(3R)-3-phenylpyrrolidin-1-yl]methanone (PubChem CID 66661845) has the molecular formula C20H20ClNO and a molecular weight of 325.84 g/mol. Its IUPAC name is [1-(4-chlorophenyl)cyclopropyl]-[(3R)-3-phenylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(4-chlorophenyl)cyclopropyl]-[(3R)-3-phenylpyrrolidin-1-yl]methanone
PubChem CID66661845
Molecular FormulaC20H20ClNO
Molecular Weight325.84 g/mol
Exact Mass325.12
IUPAC Name[1-(4-chlorophenyl)cyclopropyl]-[(3R)-3-phenylpyrrolidin-1-yl]methanone
SMILESO=C(N1CC[C@H](c2ccccc2)C1)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H20ClNO/c21-18-8-6-17(7-9-18)20(11-12-20)19(23)22-13-10-16(14-22)15-4-2-1-3-5-15/h1-9,16H,10-14H2/t16-/m0/s1
InChIKeyKKRCWEICXMGION-INIZCTEOSA-N
XLogP4.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)cyclopropyl]-[(3R)-3-phenylpyrrolidin-1-yl]methanone?
The IUPAC name of [1-(4-chlorophenyl)cyclopropyl]-[(3R)-3-phenylpyrrolidin-1-yl]methanone (CID 66661845) is [1-(4-chlorophenyl)cyclopropyl]-[(3R)-3-phenylpyrrolidin-1-yl]methanone.
What is the SMILES notation for [1-(4-chlorophenyl)cyclopropyl]-[(3R)-3-phenylpyrrolidin-1-yl]methanone?
The canonical SMILES for [1-(4-chlorophenyl)cyclopropyl]-[(3R)-3-phenylpyrrolidin-1-yl]methanone is O=C(N1CC[C@H](c2ccccc2)C1)C1(c2ccc(Cl)cc2)CC1.
What is the InChIKey of [1-(4-chlorophenyl)cyclopropyl]-[(3R)-3-phenylpyrrolidin-1-yl]methanone?
The InChIKey is KKRCWEICXMGION-INIZCTEOSA-N. The full InChI is InChI=1S/C20H20ClNO/c21-18-8-6-17(7-9-18)20(11-12-20)19(23)22-13-10-16(14-22)15-4-2-1-3-5-15/h1-9,16H,10-14H2/t16-/m0/s1.
What are the key properties of [1-(4-chlorophenyl)cyclopropyl]-[(3R)-3-phenylpyrrolidin-1-yl]methanone?
[1-(4-chlorophenyl)cyclopropyl]-[(3R)-3-phenylpyrrolidin-1-yl]methanone has a molecular weight of 325.84 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)cyclopropyl]-[(3R)-3-phenylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 66661845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).