2-[3-(cyclopropanecarbonyl)pyrrol-1-yl]-1-pyrrolidin-1-ylethanone

C14H18N2O2 — CID 79097252

IUPAC2-[3-(cyclopropanecarbonyl)pyrrol-1-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(c1ccn(CC(=O)N2CCCC2)c1)C1CC1
InChIInChI=1S/C14H18N2O2/c17-13(16-6-1-2-7-16)10-15-8-5-12(9-15)14(18)11-3-4-11/h5,8-9,11H,1-4,6-7,10H2
InChIKeyDVAAERVYPJUBOR-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.70
Rot. Bonds4

About 2-[3-(cyclopropanecarbonyl)pyrrol-1-yl]-1-pyrrolidin-1-ylethanone

2-[3-(cyclopropanecarbonyl)pyrrol-1-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 79097252) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-[3-(cyclopropanecarbonyl)pyrrol-1-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[3-(cyclopropanecarbonyl)pyrrol-1-yl]-1-pyrrolidin-1-ylethanone
PubChem CID79097252
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-[3-(cyclopropanecarbonyl)pyrrol-1-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(c1ccn(CC(=O)N2CCCC2)c1)C1CC1
InChIInChI=1S/C14H18N2O2/c17-13(16-6-1-2-7-16)10-15-8-5-12(9-15)14(18)11-3-4-11/h5,8-9,11H,1-4,6-7,10H2
InChIKeyDVAAERVYPJUBOR-UHFFFAOYSA-N
XLogP1.70
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopropanecarbonyl)pyrrol-1-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[3-(cyclopropanecarbonyl)pyrrol-1-yl]-1-pyrrolidin-1-ylethanone (CID 79097252) is 2-[3-(cyclopropanecarbonyl)pyrrol-1-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[3-(cyclopropanecarbonyl)pyrrol-1-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[3-(cyclopropanecarbonyl)pyrrol-1-yl]-1-pyrrolidin-1-ylethanone is O=C(c1ccn(CC(=O)N2CCCC2)c1)C1CC1.
What is the InChIKey of 2-[3-(cyclopropanecarbonyl)pyrrol-1-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is DVAAERVYPJUBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c17-13(16-6-1-2-7-16)10-15-8-5-12(9-15)14(18)11-3-4-11/h5,8-9,11H,1-4,6-7,10H2.
What are the key properties of 2-[3-(cyclopropanecarbonyl)pyrrol-1-yl]-1-pyrrolidin-1-ylethanone?
2-[3-(cyclopropanecarbonyl)pyrrol-1-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 246.31 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopropanecarbonyl)pyrrol-1-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 79097252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).