cyclopropyl-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-3-yl]methanol

C14H23NO2 — CID 112591034

IUPACcyclopropyl-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-3-yl]methanol
SMILESCC(C)(C)OCCn1ccc(C(O)C2CC2)c1
InChIInChI=1S/C14H23NO2/c1-14(2,3)17-9-8-15-7-6-12(10-15)13(16)11-4-5-11/h6-7,10-11,13,16H,4-5,8-9H2,1-3H3
InChIKeyPXDGWAGHUBVBAH-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.75
Rot. Bonds5

About cyclopropyl-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-3-yl]methanol

cyclopropyl-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-3-yl]methanol (PubChem CID 112591034) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is cyclopropyl-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-3-yl]methanol.

Molecular Properties

Compound Namecyclopropyl-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-3-yl]methanol
PubChem CID112591034
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Namecyclopropyl-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-3-yl]methanol
SMILESCC(C)(C)OCCn1ccc(C(O)C2CC2)c1
InChIInChI=1S/C14H23NO2/c1-14(2,3)17-9-8-15-7-6-12(10-15)13(16)11-4-5-11/h6-7,10-11,13,16H,4-5,8-9H2,1-3H3
InChIKeyPXDGWAGHUBVBAH-UHFFFAOYSA-N
XLogP2.75
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropyl-(1-propylpyrrol-3-yl)methanol
CID 79097754
2-[2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]ethoxy]ethanol
CID 79096843
4-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]-2,2-dimethylbutanenitrile
CID 79097756
[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]-phenylmethanol
CID 110908629
1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-3-yl]ethanamine
CID 112591094
cyclopropyl-[1-[2-(4-methoxyphenyl)ethyl]pyrrol-3-yl]methanol
CID 79104504
methyl 2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]acetate
CID 79104073
cyclopropyl-(1-prop-2-ynylpyrrol-3-yl)methanol
CID 79103372
2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]-N,N-dimethylacetamide
CID 79103534
cyclopropyl-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrol-3-yl]methanol
CID 79103537
N-methyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-3-yl]butan-1-amine
CID 112591103
1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-3-yl]-N-propylpropan-1-amine
CID 112591101

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-3-yl]methanol?
The IUPAC name of cyclopropyl-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-3-yl]methanol (CID 112591034) is cyclopropyl-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-3-yl]methanol.
What is the SMILES notation for cyclopropyl-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-3-yl]methanol?
The canonical SMILES for cyclopropyl-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-3-yl]methanol is CC(C)(C)OCCn1ccc(C(O)C2CC2)c1.
What is the InChIKey of cyclopropyl-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-3-yl]methanol?
The InChIKey is PXDGWAGHUBVBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-14(2,3)17-9-8-15-7-6-12(10-15)13(16)11-4-5-11/h6-7,10-11,13,16H,4-5,8-9H2,1-3H3.
What are the key properties of cyclopropyl-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-3-yl]methanol?
cyclopropyl-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-3-yl]methanol has a molecular weight of 237.34 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-3-yl]methanol is sourced from PubChem (CID 112591034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).