(4-cyclobutylphenyl)-(3-propylpyrrolidin-3-yl)methanone

C18H25NO — CID 116570705

IUPAC(4-cyclobutylphenyl)-(3-propylpyrrolidin-3-yl)methanone
SMILESCCCC1(C(=O)c2ccc(C3CCC3)cc2)CCNC1
InChIInChI=1S/C18H25NO/c1-2-10-18(11-12-19-13-18)17(20)16-8-6-15(7-9-16)14-4-3-5-14/h6-9,14,19H,2-5,10-13H2,1H3
InChIKeySLBZPPLLTRJJHX-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.92
Rot. Bonds5

About (4-cyclobutylphenyl)-(3-propylpyrrolidin-3-yl)methanone

(4-cyclobutylphenyl)-(3-propylpyrrolidin-3-yl)methanone (PubChem CID 116570705) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is (4-cyclobutylphenyl)-(3-propylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name(4-cyclobutylphenyl)-(3-propylpyrrolidin-3-yl)methanone
PubChem CID116570705
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name(4-cyclobutylphenyl)-(3-propylpyrrolidin-3-yl)methanone
SMILESCCCC1(C(=O)c2ccc(C3CCC3)cc2)CCNC1
InChIInChI=1S/C18H25NO/c1-2-10-18(11-12-19-13-18)17(20)16-8-6-15(7-9-16)14-4-3-5-14/h6-9,14,19H,2-5,10-13H2,1H3
InChIKeySLBZPPLLTRJJHX-UHFFFAOYSA-N
XLogP3.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-cyclobutylphenyl)-(3-propylpyrrolidin-3-yl)methanone?
The IUPAC name of (4-cyclobutylphenyl)-(3-propylpyrrolidin-3-yl)methanone (CID 116570705) is (4-cyclobutylphenyl)-(3-propylpyrrolidin-3-yl)methanone.
What is the SMILES notation for (4-cyclobutylphenyl)-(3-propylpyrrolidin-3-yl)methanone?
The canonical SMILES for (4-cyclobutylphenyl)-(3-propylpyrrolidin-3-yl)methanone is CCCC1(C(=O)c2ccc(C3CCC3)cc2)CCNC1.
What is the InChIKey of (4-cyclobutylphenyl)-(3-propylpyrrolidin-3-yl)methanone?
The InChIKey is SLBZPPLLTRJJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-2-10-18(11-12-19-13-18)17(20)16-8-6-15(7-9-16)14-4-3-5-14/h6-9,14,19H,2-5,10-13H2,1H3.
What are the key properties of (4-cyclobutylphenyl)-(3-propylpyrrolidin-3-yl)methanone?
(4-cyclobutylphenyl)-(3-propylpyrrolidin-3-yl)methanone has a molecular weight of 271.40 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclobutylphenyl)-(3-propylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 116570705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).