(2-ethylpyrrolidin-2-yl)-(4-propylphenyl)methanone

C16H23NO — CID 116608056

IUPAC(2-ethylpyrrolidin-2-yl)-(4-propylphenyl)methanone
SMILESCCCc1ccc(C(=O)C2(CC)CCCN2)cc1
InChIInChI=1S/C16H23NO/c1-3-6-13-7-9-14(10-8-13)15(18)16(4-2)11-5-12-17-16/h7-10,17H,3-6,11-12H2,1-2H3
InChIKeySWEZRPFPLNBVEW-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.35
Rot. Bonds5

About (2-ethylpyrrolidin-2-yl)-(4-propylphenyl)methanone

(2-ethylpyrrolidin-2-yl)-(4-propylphenyl)methanone (PubChem CID 116608056) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is (2-ethylpyrrolidin-2-yl)-(4-propylphenyl)methanone.

Molecular Properties

Compound Name(2-ethylpyrrolidin-2-yl)-(4-propylphenyl)methanone
PubChem CID116608056
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name(2-ethylpyrrolidin-2-yl)-(4-propylphenyl)methanone
SMILESCCCc1ccc(C(=O)C2(CC)CCCN2)cc1
InChIInChI=1S/C16H23NO/c1-3-6-13-7-9-14(10-8-13)15(18)16(4-2)11-5-12-17-16/h7-10,17H,3-6,11-12H2,1-2H3
InChIKeySWEZRPFPLNBVEW-UHFFFAOYSA-N
XLogP3.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrrolidin-2-yl)-(4-propylphenyl)methanone?
The IUPAC name of (2-ethylpyrrolidin-2-yl)-(4-propylphenyl)methanone (CID 116608056) is (2-ethylpyrrolidin-2-yl)-(4-propylphenyl)methanone.
What is the SMILES notation for (2-ethylpyrrolidin-2-yl)-(4-propylphenyl)methanone?
The canonical SMILES for (2-ethylpyrrolidin-2-yl)-(4-propylphenyl)methanone is CCCc1ccc(C(=O)C2(CC)CCCN2)cc1.
What is the InChIKey of (2-ethylpyrrolidin-2-yl)-(4-propylphenyl)methanone?
The InChIKey is SWEZRPFPLNBVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-3-6-13-7-9-14(10-8-13)15(18)16(4-2)11-5-12-17-16/h7-10,17H,3-6,11-12H2,1-2H3.
What are the key properties of (2-ethylpyrrolidin-2-yl)-(4-propylphenyl)methanone?
(2-ethylpyrrolidin-2-yl)-(4-propylphenyl)methanone has a molecular weight of 245.37 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrrolidin-2-yl)-(4-propylphenyl)methanone is sourced from PubChem (CID 116608056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).