1-(4-chlorophenyl)-2-pyrrolidin-1-ylethanone

C12H14ClNO — CID 822936

IUPAC1-(4-chlorophenyl)-2-pyrrolidin-1-ylethanone
SMILESO=C(CN1CCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C12H14ClNO/c13-11-5-3-10(4-6-11)12(15)9-14-7-1-2-8-14/h3-6H,1-2,7-9H2
InChIKeyBNOJBLXRSAKZQL-UHFFFAOYSA-N
MW223.70 g/mol
LogP2.62
Rot. Bonds3

About 1-(4-chlorophenyl)-2-pyrrolidin-1-ylethanone

1-(4-chlorophenyl)-2-pyrrolidin-1-ylethanone (PubChem CID 822936) has the molecular formula C12H14ClNO and a molecular weight of 223.70 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-pyrrolidin-1-ylethanone
PubChem CID822936
Molecular FormulaC12H14ClNO
Molecular Weight223.70 g/mol
Exact Mass223.08
IUPAC Name1-(4-chlorophenyl)-2-pyrrolidin-1-ylethanone
SMILESO=C(CN1CCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C12H14ClNO/c13-11-5-3-10(4-6-11)12(15)9-14-7-1-2-8-14/h3-6H,1-2,7-9H2
InChIKeyBNOJBLXRSAKZQL-UHFFFAOYSA-N
XLogP2.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-pyrrolidin-1-ylethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-pyrrolidin-1-ylethanone (CID 822936) is 1-(4-chlorophenyl)-2-pyrrolidin-1-ylethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-pyrrolidin-1-ylethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-pyrrolidin-1-ylethanone is O=C(CN1CCCC1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-pyrrolidin-1-ylethanone?
The InChIKey is BNOJBLXRSAKZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO/c13-11-5-3-10(4-6-11)12(15)9-14-7-1-2-8-14/h3-6H,1-2,7-9H2.
What are the key properties of 1-(4-chlorophenyl)-2-pyrrolidin-1-ylethanone?
1-(4-chlorophenyl)-2-pyrrolidin-1-ylethanone has a molecular weight of 223.70 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-pyrrolidin-1-ylethanone is sourced from PubChem (CID 822936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).