1-[3-(5-chloro-2-propan-2-ylphenyl)phenyl]-2-methylidenepyrrolidine

C20H22ClN — CID 146207426

IUPAC1-[3-(5-chloro-2-propan-2-ylphenyl)phenyl]-2-methylidenepyrrolidine
SMILESC=C1CCCN1c1cccc(-c2cc(Cl)ccc2C(C)C)c1
InChIInChI=1S/C20H22ClN/c1-14(2)19-10-9-17(21)13-20(19)16-7-4-8-18(12-16)22-11-5-6-15(22)3/h4,7-10,12-14H,3,5-6,11H2,1-2H3
InChIKeyCBMTWSWYISPRPB-UHFFFAOYSA-N
MW311.86 g/mol
LogP6.24
Rot. Bonds3

About 1-[3-(5-chloro-2-propan-2-ylphenyl)phenyl]-2-methylidenepyrrolidine

1-[3-(5-chloro-2-propan-2-ylphenyl)phenyl]-2-methylidenepyrrolidine (PubChem CID 146207426) has the molecular formula C20H22ClN and a molecular weight of 311.86 g/mol. Its IUPAC name is 1-[3-(5-chloro-2-propan-2-ylphenyl)phenyl]-2-methylidenepyrrolidine.

Molecular Properties

Compound Name1-[3-(5-chloro-2-propan-2-ylphenyl)phenyl]-2-methylidenepyrrolidine
PubChem CID146207426
Molecular FormulaC20H22ClN
Molecular Weight311.86 g/mol
Exact Mass311.14
IUPAC Name1-[3-(5-chloro-2-propan-2-ylphenyl)phenyl]-2-methylidenepyrrolidine
SMILESC=C1CCCN1c1cccc(-c2cc(Cl)ccc2C(C)C)c1
InChIInChI=1S/C20H22ClN/c1-14(2)19-10-9-17(21)13-20(19)16-7-4-8-18(12-16)22-11-5-6-15(22)3/h4,7-10,12-14H,3,5-6,11H2,1-2H3
InChIKeyCBMTWSWYISPRPB-UHFFFAOYSA-N
XLogP6.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.86
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-chloro-2-propan-2-ylphenyl)phenyl]-2-methylidenepyrrolidine?
The IUPAC name of 1-[3-(5-chloro-2-propan-2-ylphenyl)phenyl]-2-methylidenepyrrolidine (CID 146207426) is 1-[3-(5-chloro-2-propan-2-ylphenyl)phenyl]-2-methylidenepyrrolidine.
What is the SMILES notation for 1-[3-(5-chloro-2-propan-2-ylphenyl)phenyl]-2-methylidenepyrrolidine?
The canonical SMILES for 1-[3-(5-chloro-2-propan-2-ylphenyl)phenyl]-2-methylidenepyrrolidine is C=C1CCCN1c1cccc(-c2cc(Cl)ccc2C(C)C)c1.
What is the InChIKey of 1-[3-(5-chloro-2-propan-2-ylphenyl)phenyl]-2-methylidenepyrrolidine?
The InChIKey is CBMTWSWYISPRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN/c1-14(2)19-10-9-17(21)13-20(19)16-7-4-8-18(12-16)22-11-5-6-15(22)3/h4,7-10,12-14H,3,5-6,11H2,1-2H3.
What are the key properties of 1-[3-(5-chloro-2-propan-2-ylphenyl)phenyl]-2-methylidenepyrrolidine?
1-[3-(5-chloro-2-propan-2-ylphenyl)phenyl]-2-methylidenepyrrolidine has a molecular weight of 311.86 g/mol, XLogP of 6.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-chloro-2-propan-2-ylphenyl)phenyl]-2-methylidenepyrrolidine is sourced from PubChem (CID 146207426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).