(2R)-2-(2-methylpyrrol-1-yl)propan-1-ol

C8H13NO — CID 45087799

IUPAC(2R)-2-(2-methylpyrrol-1-yl)propan-1-ol
SMILESCc1cccn1[C@H](C)CO
InChIInChI=1S/C8H13NO/c1-7-4-3-5-9(7)8(2)6-10/h3-5,8,10H,6H2,1-2H3/t8-/m1/s1
InChIKeyMBRPUUMVXJFSQT-MRVPVSSYSA-N
MW139.20 g/mol
LogP1.35
Rot. Bonds2

About (2R)-2-(2-methylpyrrol-1-yl)propan-1-ol

(2R)-2-(2-methylpyrrol-1-yl)propan-1-ol (PubChem CID 45087799) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (2R)-2-(2-methylpyrrol-1-yl)propan-1-ol.

Molecular Properties

Compound Name(2R)-2-(2-methylpyrrol-1-yl)propan-1-ol
PubChem CID45087799
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(2R)-2-(2-methylpyrrol-1-yl)propan-1-ol
SMILESCc1cccn1[C@H](C)CO
InChIInChI=1S/C8H13NO/c1-7-4-3-5-9(7)8(2)6-10/h3-5,8,10H,6H2,1-2H3/t8-/m1/s1
InChIKeyMBRPUUMVXJFSQT-MRVPVSSYSA-N
XLogP1.35
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 ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-methylpyrrol-1-yl)propan-1-ol?
The IUPAC name of (2R)-2-(2-methylpyrrol-1-yl)propan-1-ol (CID 45087799) is (2R)-2-(2-methylpyrrol-1-yl)propan-1-ol.
What is the SMILES notation for (2R)-2-(2-methylpyrrol-1-yl)propan-1-ol?
The canonical SMILES for (2R)-2-(2-methylpyrrol-1-yl)propan-1-ol is Cc1cccn1[C@H](C)CO.
What is the InChIKey of (2R)-2-(2-methylpyrrol-1-yl)propan-1-ol?
The InChIKey is MBRPUUMVXJFSQT-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H13NO/c1-7-4-3-5-9(7)8(2)6-10/h3-5,8,10H,6H2,1-2H3/t8-/m1/s1.
What are the key properties of (2R)-2-(2-methylpyrrol-1-yl)propan-1-ol?
(2R)-2-(2-methylpyrrol-1-yl)propan-1-ol has a molecular weight of 139.20 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-methylpyrrol-1-yl)propan-1-ol is sourced from PubChem (CID 45087799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).