1-[(4-chlorophenyl)methyl]-3-propan-2-yl-2,5-dihydropyrrole

C14H18ClN — CID 130186831

IUPAC1-[(4-chlorophenyl)methyl]-3-propan-2-yl-2,5-dihydropyrrole
SMILESCC(C)C1=CCN(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C14H18ClN/c1-11(2)13-7-8-16(10-13)9-12-3-5-14(15)6-4-12/h3-7,11H,8-10H2,1-2H3
InChIKeyFLLDFGDSCJJGRE-UHFFFAOYSA-N
MW235.76 g/mol
LogP3.74
Rot. Bonds3

About 1-[(4-chlorophenyl)methyl]-3-propan-2-yl-2,5-dihydropyrrole

1-[(4-chlorophenyl)methyl]-3-propan-2-yl-2,5-dihydropyrrole (PubChem CID 130186831) has the molecular formula C14H18ClN and a molecular weight of 235.76 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-propan-2-yl-2,5-dihydropyrrole.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-propan-2-yl-2,5-dihydropyrrole
PubChem CID130186831
Molecular FormulaC14H18ClN
Molecular Weight235.76 g/mol
Exact Mass235.11
IUPAC Name1-[(4-chlorophenyl)methyl]-3-propan-2-yl-2,5-dihydropyrrole
SMILESCC(C)C1=CCN(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C14H18ClN/c1-11(2)13-7-8-16(10-13)9-12-3-5-14(15)6-4-12/h3-7,11H,8-10H2,1-2H3
InChIKeyFLLDFGDSCJJGRE-UHFFFAOYSA-N
XLogP3.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.76
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-propan-2-yl-2,5-dihydropyrrole?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-propan-2-yl-2,5-dihydropyrrole (CID 130186831) is 1-[(4-chlorophenyl)methyl]-3-propan-2-yl-2,5-dihydropyrrole.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-propan-2-yl-2,5-dihydropyrrole?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-propan-2-yl-2,5-dihydropyrrole is CC(C)C1=CCN(Cc2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-propan-2-yl-2,5-dihydropyrrole?
The InChIKey is FLLDFGDSCJJGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN/c1-11(2)13-7-8-16(10-13)9-12-3-5-14(15)6-4-12/h3-7,11H,8-10H2,1-2H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-propan-2-yl-2,5-dihydropyrrole?
1-[(4-chlorophenyl)methyl]-3-propan-2-yl-2,5-dihydropyrrole has a molecular weight of 235.76 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-propan-2-yl-2,5-dihydropyrrole is sourced from PubChem (CID 130186831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).