2-ethyl-5-(oxan-4-ylmethyl)-1-propylpyrrole

C15H25NO — CID 143834141

IUPAC2-ethyl-5-(oxan-4-ylmethyl)-1-propylpyrrole
SMILESCCCn1c(CC)ccc1CC1CCOCC1
InChIInChI=1S/C15H25NO/c1-3-9-16-14(4-2)5-6-15(16)12-13-7-10-17-11-8-13/h5-6,13H,3-4,7-12H2,1-2H3
InChIKeyNLGBVQWDIMCURU-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.43
Rot. Bonds5

About 2-ethyl-5-(oxan-4-ylmethyl)-1-propylpyrrole

2-ethyl-5-(oxan-4-ylmethyl)-1-propylpyrrole (PubChem CID 143834141) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-ethyl-5-(oxan-4-ylmethyl)-1-propylpyrrole.

Molecular Properties

Compound Name2-ethyl-5-(oxan-4-ylmethyl)-1-propylpyrrole
PubChem CID143834141
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-ethyl-5-(oxan-4-ylmethyl)-1-propylpyrrole
SMILESCCCn1c(CC)ccc1CC1CCOCC1
InChIInChI=1S/C15H25NO/c1-3-9-16-14(4-2)5-6-15(16)12-13-7-10-17-11-8-13/h5-6,13H,3-4,7-12H2,1-2H3
InChIKeyNLGBVQWDIMCURU-UHFFFAOYSA-N
XLogP3.43
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(cyclohexylmethyl)-1-propylpyrrole-2-carbonitrile
CID 100792772
N-(oxan-4-ylmethyl)-2-propylpyrazol-3-amine
CID 115685569
1-(oxan-4-yl)-N-[(1-propylpyrrol-3-yl)methyl]methanamine
CID 66415974
1-(oxan-4-yl)-2-(1-propylbenzimidazol-2-yl)ethanamine
CID 79757035
4-bromo-5-(oxan-4-ylmethyl)-1-propylpyrazole-3-carbonitrile
CID 67158352
5-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 68587259
6-bromo-1-(2-methoxyethyl)-2-(oxan-4-ylmethyl)benzimidazole
CID 126582711
5-(oxan-4-yl)-2-propyl-1H-pyrazole-3-thione
CID 165489265
3-[methyl(oxan-4-yl)amino]-4-propyl-1H-1,2,4-triazole-5-thione
CID 43645352
2-(oxan-4-ylmethyl)pyrimidine
CID 67123778
5-ethyl-3-methyl-1-(oxan-4-yl)pyrazole
CID 170965692
4-[2-(3-cyclopropyl-5-ethylpyrazol-1-yl)ethyl]morpholine
CID 71019550

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(oxan-4-ylmethyl)-1-propylpyrrole?
The IUPAC name of 2-ethyl-5-(oxan-4-ylmethyl)-1-propylpyrrole (CID 143834141) is 2-ethyl-5-(oxan-4-ylmethyl)-1-propylpyrrole.
What is the SMILES notation for 2-ethyl-5-(oxan-4-ylmethyl)-1-propylpyrrole?
The canonical SMILES for 2-ethyl-5-(oxan-4-ylmethyl)-1-propylpyrrole is CCCn1c(CC)ccc1CC1CCOCC1.
What is the InChIKey of 2-ethyl-5-(oxan-4-ylmethyl)-1-propylpyrrole?
The InChIKey is NLGBVQWDIMCURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-3-9-16-14(4-2)5-6-15(16)12-13-7-10-17-11-8-13/h5-6,13H,3-4,7-12H2,1-2H3.
What are the key properties of 2-ethyl-5-(oxan-4-ylmethyl)-1-propylpyrrole?
2-ethyl-5-(oxan-4-ylmethyl)-1-propylpyrrole has a molecular weight of 235.37 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(oxan-4-ylmethyl)-1-propylpyrrole is sourced from PubChem (CID 143834141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).