(3-propan-2-yloxyphenyl)-pyrrolidin-1-ylmethanone

C14H19NO2 — CID 874697

IUPAC(3-propan-2-yloxyphenyl)-pyrrolidin-1-ylmethanone
SMILESCC(C)Oc1cccc(C(=O)N2CCCC2)c1
InChIInChI=1S/C14H19NO2/c1-11(2)17-13-7-5-6-12(10-13)14(16)15-8-3-4-9-15/h5-7,10-11H,3-4,8-9H2,1-2H3
InChIKeyINYOQEBFCAMSNM-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.71
Rot. Bonds3

About (3-propan-2-yloxyphenyl)-pyrrolidin-1-ylmethanone

(3-propan-2-yloxyphenyl)-pyrrolidin-1-ylmethanone (PubChem CID 874697) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (3-propan-2-yloxyphenyl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(3-propan-2-yloxyphenyl)-pyrrolidin-1-ylmethanone
PubChem CID874697
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(3-propan-2-yloxyphenyl)-pyrrolidin-1-ylmethanone
SMILESCC(C)Oc1cccc(C(=O)N2CCCC2)c1
InChIInChI=1S/C14H19NO2/c1-11(2)17-13-7-5-6-12(10-13)14(16)15-8-3-4-9-15/h5-7,10-11H,3-4,8-9H2,1-2H3
InChIKeyINYOQEBFCAMSNM-UHFFFAOYSA-N
XLogP2.71
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-propan-2-yloxyphenyl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (3-propan-2-yloxyphenyl)-pyrrolidin-1-ylmethanone (CID 874697) is (3-propan-2-yloxyphenyl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (3-propan-2-yloxyphenyl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (3-propan-2-yloxyphenyl)-pyrrolidin-1-ylmethanone is CC(C)Oc1cccc(C(=O)N2CCCC2)c1.
What is the InChIKey of (3-propan-2-yloxyphenyl)-pyrrolidin-1-ylmethanone?
The InChIKey is INYOQEBFCAMSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-11(2)17-13-7-5-6-12(10-13)14(16)15-8-3-4-9-15/h5-7,10-11H,3-4,8-9H2,1-2H3.
What are the key properties of (3-propan-2-yloxyphenyl)-pyrrolidin-1-ylmethanone?
(3-propan-2-yloxyphenyl)-pyrrolidin-1-ylmethanone has a molecular weight of 233.31 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propan-2-yloxyphenyl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 874697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).