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

C14H20N2O2 — CID 121197489

IUPAC1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-pyrrol-1-ylethanone
SMILESO=C(Cn1cccc1)N1CCC(OCC2CC2)C1
InChIInChI=1S/C14H20N2O2/c17-14(10-15-6-1-2-7-15)16-8-5-13(9-16)18-11-12-3-4-12/h1-2,6-7,12-13H,3-5,8-11H2
InChIKeyVZFXIZFWEKWZND-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.52
Rot. Bonds5

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

1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-pyrrol-1-ylethanone (PubChem CID 121197489) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-pyrrol-1-ylethanone.

Molecular Properties

Compound Name1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-pyrrol-1-ylethanone
PubChem CID121197489
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-pyrrol-1-ylethanone
SMILESO=C(Cn1cccc1)N1CCC(OCC2CC2)C1
InChIInChI=1S/C14H20N2O2/c17-14(10-15-6-1-2-7-15)16-8-5-13(9-16)18-11-12-3-4-12/h1-2,6-7,12-13H,3-5,8-11H2
InChIKeyVZFXIZFWEKWZND-UHFFFAOYSA-N
XLogP1.52
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-pyrrol-1-ylethanone?
The IUPAC name of 1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-pyrrol-1-ylethanone (CID 121197489) is 1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-pyrrol-1-ylethanone.
What is the SMILES notation for 1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-pyrrol-1-ylethanone?
The canonical SMILES for 1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-pyrrol-1-ylethanone is O=C(Cn1cccc1)N1CCC(OCC2CC2)C1.
What is the InChIKey of 1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-pyrrol-1-ylethanone?
The InChIKey is VZFXIZFWEKWZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c17-14(10-15-6-1-2-7-15)16-8-5-13(9-16)18-11-12-3-4-12/h1-2,6-7,12-13H,3-5,8-11H2.
What are the key properties of 1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-pyrrol-1-ylethanone?
1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-pyrrol-1-ylethanone has a molecular weight of 248.33 g/mol, XLogP of 1.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-pyrrol-1-ylethanone is sourced from PubChem (CID 121197489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).