[1-ethyl-5-(2-methylpropyl)pyrrol-2-yl]methanol

C11H19NO — CID 100792639

IUPAC[1-ethyl-5-(2-methylpropyl)pyrrol-2-yl]methanol
SMILESCCn1c(CO)ccc1CC(C)C
InChIInChI=1S/C11H19NO/c1-4-12-10(7-9(2)3)5-6-11(12)8-13/h5-6,9,13H,4,7-8H2,1-3H3
InChIKeyLASUTDRNSRTJBC-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.20
Rot. Bonds4

About [1-ethyl-5-(2-methylpropyl)pyrrol-2-yl]methanol

[1-ethyl-5-(2-methylpropyl)pyrrol-2-yl]methanol (PubChem CID 100792639) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is [1-ethyl-5-(2-methylpropyl)pyrrol-2-yl]methanol.

Molecular Properties

Compound Name[1-ethyl-5-(2-methylpropyl)pyrrol-2-yl]methanol
PubChem CID100792639
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name[1-ethyl-5-(2-methylpropyl)pyrrol-2-yl]methanol
SMILESCCn1c(CO)ccc1CC(C)C
InChIInChI=1S/C11H19NO/c1-4-12-10(7-9(2)3)5-6-11(12)8-13/h5-6,9,13H,4,7-8H2,1-3H3
InChIKeyLASUTDRNSRTJBC-UHFFFAOYSA-N
XLogP2.20
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-ethyl-5-(2-methylpropyl)pyrrol-2-yl]methanol?
The IUPAC name of [1-ethyl-5-(2-methylpropyl)pyrrol-2-yl]methanol (CID 100792639) is [1-ethyl-5-(2-methylpropyl)pyrrol-2-yl]methanol.
What is the SMILES notation for [1-ethyl-5-(2-methylpropyl)pyrrol-2-yl]methanol?
The canonical SMILES for [1-ethyl-5-(2-methylpropyl)pyrrol-2-yl]methanol is CCn1c(CO)ccc1CC(C)C.
What is the InChIKey of [1-ethyl-5-(2-methylpropyl)pyrrol-2-yl]methanol?
The InChIKey is LASUTDRNSRTJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-4-12-10(7-9(2)3)5-6-11(12)8-13/h5-6,9,13H,4,7-8H2,1-3H3.
What are the key properties of [1-ethyl-5-(2-methylpropyl)pyrrol-2-yl]methanol?
[1-ethyl-5-(2-methylpropyl)pyrrol-2-yl]methanol has a molecular weight of 181.28 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-5-(2-methylpropyl)pyrrol-2-yl]methanol is sourced from PubChem (CID 100792639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).