3-(1-ethylpyrrol-2-yl)prop-2-en-1-ol

C9H13NO — CID 79335576

IUPAC3-(1-ethylpyrrol-2-yl)prop-2-en-1-ol
SMILESCCn1cccc1C=CCO
InChIInChI=1S/C9H13NO/c1-2-10-7-3-5-9(10)6-4-8-11/h3-7,11H,2,8H2,1H3
InChIKeyURYPOUCDLSLLJI-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.51
Rot. Bonds3

About 3-(1-ethylpyrrol-2-yl)prop-2-en-1-ol

3-(1-ethylpyrrol-2-yl)prop-2-en-1-ol (PubChem CID 79335576) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 3-(1-ethylpyrrol-2-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name3-(1-ethylpyrrol-2-yl)prop-2-en-1-ol
PubChem CID79335576
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name3-(1-ethylpyrrol-2-yl)prop-2-en-1-ol
SMILESCCn1cccc1C=CCO
InChIInChI=1S/C9H13NO/c1-2-10-7-3-5-9(10)6-4-8-11/h3-7,11H,2,8H2,1H3
InChIKeyURYPOUCDLSLLJI-UHFFFAOYSA-N
XLogP1.51
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylpyrrol-2-yl)prop-2-en-1-ol?
The IUPAC name of 3-(1-ethylpyrrol-2-yl)prop-2-en-1-ol (CID 79335576) is 3-(1-ethylpyrrol-2-yl)prop-2-en-1-ol.
What is the SMILES notation for 3-(1-ethylpyrrol-2-yl)prop-2-en-1-ol?
The canonical SMILES for 3-(1-ethylpyrrol-2-yl)prop-2-en-1-ol is CCn1cccc1C=CCO.
What is the InChIKey of 3-(1-ethylpyrrol-2-yl)prop-2-en-1-ol?
The InChIKey is URYPOUCDLSLLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-2-10-7-3-5-9(10)6-4-8-11/h3-7,11H,2,8H2,1H3.
What are the key properties of 3-(1-ethylpyrrol-2-yl)prop-2-en-1-ol?
3-(1-ethylpyrrol-2-yl)prop-2-en-1-ol has a molecular weight of 151.21 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylpyrrol-2-yl)prop-2-en-1-ol is sourced from PubChem (CID 79335576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).