(1-propan-2-ylpyrrol-3-yl)methanol

C8H13NO — CID 58546933

IUPAC(1-propan-2-ylpyrrol-3-yl)methanol
SMILESCC(C)n1ccc(CO)c1
InChIInChI=1S/C8H13NO/c1-7(2)9-4-3-8(5-9)6-10/h3-5,7,10H,6H2,1-2H3
InChIKeyDKIPEIIAVAZMFZ-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.56
Rot. Bonds2

About (1-propan-2-ylpyrrol-3-yl)methanol

(1-propan-2-ylpyrrol-3-yl)methanol (PubChem CID 58546933) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (1-propan-2-ylpyrrol-3-yl)methanol.

Molecular Properties

Compound Name(1-propan-2-ylpyrrol-3-yl)methanol
PubChem CID58546933
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(1-propan-2-ylpyrrol-3-yl)methanol
SMILESCC(C)n1ccc(CO)c1
InChIInChI=1S/C8H13NO/c1-7(2)9-4-3-8(5-9)6-10/h3-5,7,10H,6H2,1-2H3
InChIKeyDKIPEIIAVAZMFZ-UHFFFAOYSA-N
XLogP1.56
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-propan-2-ylpyrrol-3-yl)methanol?
The IUPAC name of (1-propan-2-ylpyrrol-3-yl)methanol (CID 58546933) is (1-propan-2-ylpyrrol-3-yl)methanol.
What is the SMILES notation for (1-propan-2-ylpyrrol-3-yl)methanol?
The canonical SMILES for (1-propan-2-ylpyrrol-3-yl)methanol is CC(C)n1ccc(CO)c1.
What is the InChIKey of (1-propan-2-ylpyrrol-3-yl)methanol?
The InChIKey is DKIPEIIAVAZMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-7(2)9-4-3-8(5-9)6-10/h3-5,7,10H,6H2,1-2H3.
What are the key properties of (1-propan-2-ylpyrrol-3-yl)methanol?
(1-propan-2-ylpyrrol-3-yl)methanol has a molecular weight of 139.20 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propan-2-ylpyrrol-3-yl)methanol is sourced from PubChem (CID 58546933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).