(3-propylphenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanone

C19H27NO — CID 116543351

IUPAC(3-propylphenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanone
SMILESCCCc1cccc(C(=O)C2(N3CCCC3)CCCC2)c1
InChIInChI=1S/C19H27NO/c1-2-8-16-9-7-10-17(15-16)18(21)19(11-3-4-12-19)20-13-5-6-14-20/h7,9-10,15H,2-6,8,11-14H2,1H3
InChIKeyBDPAUAHITSODFW-UHFFFAOYSA-N
MW285.43 g/mol
LogP4.23
Rot. Bonds5

About (3-propylphenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanone

(3-propylphenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanone (PubChem CID 116543351) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is (3-propylphenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanone.

Molecular Properties

Compound Name(3-propylphenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanone
PubChem CID116543351
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name(3-propylphenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanone
SMILESCCCc1cccc(C(=O)C2(N3CCCC3)CCCC2)c1
InChIInChI=1S/C19H27NO/c1-2-8-16-9-7-10-17(15-16)18(21)19(11-3-4-12-19)20-13-5-6-14-20/h7,9-10,15H,2-6,8,11-14H2,1H3
InChIKeyBDPAUAHITSODFW-UHFFFAOYSA-N
XLogP4.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1-ethoxycyclohexyl)-(3-propylphenyl)methanone
CID 116748314
(1-phenylcyclopropyl)-(3-propylphenyl)methanone
CID 116543203
(2-methyloxolan-2-yl)-(3-propylphenyl)methanone
CID 116543391
2-(3-methylphenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone
CID 79058182
(2-ethylpyrrolidin-2-yl)-(3-propylphenyl)methanone
CID 116608201
(2-amino-1-methylcyclopentyl)-(3-propylphenyl)methanone
CID 116607279
(4-methylpiperazin-1-yl)-(3-propylphenyl)methanone
CID 70962080
6-bicyclo[3.1.0]hexanyl-(3-propylphenyl)methanone
CID 115812266
(4-methoxyphenyl)-(1-piperidin-1-ylcyclopentyl)methanone
CID 79057208
methyl 3-propylbenzoate
CID 12861009
2-amino-1-(3-propylphenyl)ethanone
CID 116548428
(4-tert-butylcyclohexyl)-(3-propylphenyl)methanone
CID 116543285

Frequently Asked Questions

What is the IUPAC name of (3-propylphenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanone?
The IUPAC name of (3-propylphenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanone (CID 116543351) is (3-propylphenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanone.
What is the SMILES notation for (3-propylphenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanone?
The canonical SMILES for (3-propylphenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanone is CCCc1cccc(C(=O)C2(N3CCCC3)CCCC2)c1.
What is the InChIKey of (3-propylphenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanone?
The InChIKey is BDPAUAHITSODFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-2-8-16-9-7-10-17(15-16)18(21)19(11-3-4-12-19)20-13-5-6-14-20/h7,9-10,15H,2-6,8,11-14H2,1H3.
What are the key properties of (3-propylphenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanone?
(3-propylphenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanone has a molecular weight of 285.43 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propylphenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanone is sourced from PubChem (CID 116543351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).