1-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]-2-methylpropan-1-one

C20H29NO3 — CID 10449388

IUPAC1-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]-2-methylpropan-1-one
SMILESCOc1ccc(C2CCN(C(=O)C(C)C)C2)cc1OC1CCCC1
InChIInChI=1S/C20H29NO3/c1-14(2)20(22)21-11-10-16(13-21)15-8-9-18(23-3)19(12-15)24-17-6-4-5-7-17/h8-9,12,14,16-17H,4-7,10-11,13H2,1-3H3
InChIKeyVBFVRCZURXZXLS-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.99
Rot. Bonds5

About 1-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]-2-methylpropan-1-one

1-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]-2-methylpropan-1-one (PubChem CID 10449388) has the molecular formula C20H29NO3 and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]-2-methylpropan-1-one
PubChem CID10449388
Molecular FormulaC20H29NO3
Molecular Weight331.46 g/mol
Exact Mass331.21
IUPAC Name1-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]-2-methylpropan-1-one
SMILESCOc1ccc(C2CCN(C(=O)C(C)C)C2)cc1OC1CCCC1
InChIInChI=1S/C20H29NO3/c1-14(2)20(22)21-11-10-16(13-21)15-8-9-18(23-3)19(12-15)24-17-6-4-5-7-17/h8-9,12,14,16-17H,4-7,10-11,13H2,1-3H3
InChIKeyVBFVRCZURXZXLS-UHFFFAOYSA-N
XLogP3.99
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]-2-methylpropan-1-one (CID 10449388) is 1-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]-2-methylpropan-1-one is COc1ccc(C2CCN(C(=O)C(C)C)C2)cc1OC1CCCC1.
What is the InChIKey of 1-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]-2-methylpropan-1-one?
The InChIKey is VBFVRCZURXZXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO3/c1-14(2)20(22)21-11-10-16(13-21)15-8-9-18(23-3)19(12-15)24-17-6-4-5-7-17/h8-9,12,14,16-17H,4-7,10-11,13H2,1-3H3.
What are the key properties of 1-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]-2-methylpropan-1-one?
1-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]-2-methylpropan-1-one has a molecular weight of 331.46 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 10449388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).