cyclopropyl-[1-(3-methoxy-3-methylbutyl)pyrrol-3-yl]methanone

C14H21NO2 — CID 103034917

IUPACcyclopropyl-[1-(3-methoxy-3-methylbutyl)pyrrol-3-yl]methanone
SMILESCOC(C)(C)CCn1ccc(C(=O)C2CC2)c1
InChIInChI=1S/C14H21NO2/c1-14(2,17-3)7-9-15-8-6-12(10-15)13(16)11-4-5-11/h6,8,10-11H,4-5,7,9H2,1-3H3
InChIKeyHXQGWJPNNNSWMO-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.90
Rot. Bonds6

About cyclopropyl-[1-(3-methoxy-3-methylbutyl)pyrrol-3-yl]methanone

cyclopropyl-[1-(3-methoxy-3-methylbutyl)pyrrol-3-yl]methanone (PubChem CID 103034917) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is cyclopropyl-[1-(3-methoxy-3-methylbutyl)pyrrol-3-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[1-(3-methoxy-3-methylbutyl)pyrrol-3-yl]methanone
PubChem CID103034917
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Namecyclopropyl-[1-(3-methoxy-3-methylbutyl)pyrrol-3-yl]methanone
SMILESCOC(C)(C)CCn1ccc(C(=O)C2CC2)c1
InChIInChI=1S/C14H21NO2/c1-14(2,17-3)7-9-15-8-6-12(10-15)13(16)11-4-5-11/h6,8,10-11H,4-5,7,9H2,1-3H3
InChIKeyHXQGWJPNNNSWMO-UHFFFAOYSA-N
XLogP2.90
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[1-(3-methoxy-3-methylbutyl)pyrrol-3-yl]methanone?
The IUPAC name of cyclopropyl-[1-(3-methoxy-3-methylbutyl)pyrrol-3-yl]methanone (CID 103034917) is cyclopropyl-[1-(3-methoxy-3-methylbutyl)pyrrol-3-yl]methanone.
What is the SMILES notation for cyclopropyl-[1-(3-methoxy-3-methylbutyl)pyrrol-3-yl]methanone?
The canonical SMILES for cyclopropyl-[1-(3-methoxy-3-methylbutyl)pyrrol-3-yl]methanone is COC(C)(C)CCn1ccc(C(=O)C2CC2)c1.
What is the InChIKey of cyclopropyl-[1-(3-methoxy-3-methylbutyl)pyrrol-3-yl]methanone?
The InChIKey is HXQGWJPNNNSWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-14(2,17-3)7-9-15-8-6-12(10-15)13(16)11-4-5-11/h6,8,10-11H,4-5,7,9H2,1-3H3.
What are the key properties of cyclopropyl-[1-(3-methoxy-3-methylbutyl)pyrrol-3-yl]methanone?
cyclopropyl-[1-(3-methoxy-3-methylbutyl)pyrrol-3-yl]methanone has a molecular weight of 235.33 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[1-(3-methoxy-3-methylbutyl)pyrrol-3-yl]methanone is sourced from PubChem (CID 103034917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).