cyclopropyl-[1-[3-(2-methoxyethoxy)propyl]pyrrol-3-yl]methanone

C14H21NO3 — CID 103411195

IUPACcyclopropyl-[1-[3-(2-methoxyethoxy)propyl]pyrrol-3-yl]methanone
SMILESCOCCOCCCn1ccc(C(=O)C2CC2)c1
InChIInChI=1S/C14H21NO3/c1-17-9-10-18-8-2-6-15-7-5-13(11-15)14(16)12-3-4-12/h5,7,11-12H,2-4,6,8-10H2,1H3
InChIKeyKEKSTFRGUZAZFF-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.13
Rot. Bonds9

About cyclopropyl-[1-[3-(2-methoxyethoxy)propyl]pyrrol-3-yl]methanone

cyclopropyl-[1-[3-(2-methoxyethoxy)propyl]pyrrol-3-yl]methanone (PubChem CID 103411195) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is cyclopropyl-[1-[3-(2-methoxyethoxy)propyl]pyrrol-3-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[1-[3-(2-methoxyethoxy)propyl]pyrrol-3-yl]methanone
PubChem CID103411195
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Namecyclopropyl-[1-[3-(2-methoxyethoxy)propyl]pyrrol-3-yl]methanone
SMILESCOCCOCCCn1ccc(C(=O)C2CC2)c1
InChIInChI=1S/C14H21NO3/c1-17-9-10-18-8-2-6-15-7-5-13(11-15)14(16)12-3-4-12/h5,7,11-12H,2-4,6,8-10H2,1H3
InChIKeyKEKSTFRGUZAZFF-UHFFFAOYSA-N
XLogP2.13
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[1-[3-(2-methoxyethoxy)propyl]pyrrol-3-yl]methanone?
The IUPAC name of cyclopropyl-[1-[3-(2-methoxyethoxy)propyl]pyrrol-3-yl]methanone (CID 103411195) is cyclopropyl-[1-[3-(2-methoxyethoxy)propyl]pyrrol-3-yl]methanone.
What is the SMILES notation for cyclopropyl-[1-[3-(2-methoxyethoxy)propyl]pyrrol-3-yl]methanone?
The canonical SMILES for cyclopropyl-[1-[3-(2-methoxyethoxy)propyl]pyrrol-3-yl]methanone is COCCOCCCn1ccc(C(=O)C2CC2)c1.
What is the InChIKey of cyclopropyl-[1-[3-(2-methoxyethoxy)propyl]pyrrol-3-yl]methanone?
The InChIKey is KEKSTFRGUZAZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-17-9-10-18-8-2-6-15-7-5-13(11-15)14(16)12-3-4-12/h5,7,11-12H,2-4,6,8-10H2,1H3.
What are the key properties of cyclopropyl-[1-[3-(2-methoxyethoxy)propyl]pyrrol-3-yl]methanone?
cyclopropyl-[1-[3-(2-methoxyethoxy)propyl]pyrrol-3-yl]methanone has a molecular weight of 251.33 g/mol, XLogP of 2.13, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[1-[3-(2-methoxyethoxy)propyl]pyrrol-3-yl]methanone is sourced from PubChem (CID 103411195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).