(2-pentyl-1H-pyrrol-3-yl)methanol

C10H17NO — CID 67828685

IUPAC(2-pentyl-1H-pyrrol-3-yl)methanol
SMILESCCCCCc1[nH]ccc1CO
InChIInChI=1S/C10H17NO/c1-2-3-4-5-10-9(8-12)6-7-11-10/h6-7,11-12H,2-5,8H2,1H3
InChIKeyYNFYMEUCBIIKKK-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.24
Rot. Bonds5

About (2-pentyl-1H-pyrrol-3-yl)methanol

(2-pentyl-1H-pyrrol-3-yl)methanol (PubChem CID 67828685) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (2-pentyl-1H-pyrrol-3-yl)methanol.

Molecular Properties

Compound Name(2-pentyl-1H-pyrrol-3-yl)methanol
PubChem CID67828685
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(2-pentyl-1H-pyrrol-3-yl)methanol
SMILESCCCCCc1[nH]ccc1CO
InChIInChI=1S/C10H17NO/c1-2-3-4-5-10-9(8-12)6-7-11-10/h6-7,11-12H,2-5,8H2,1H3
InChIKeyYNFYMEUCBIIKKK-UHFFFAOYSA-N
XLogP2.24
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,3-dihexadecyl-1H-pyrrole
CID 175695832
(2-ethyl-1H-pyrrol-3-yl)methanol
CID 174935914
3-dodecyl-2-ethyl-1H-pyrrole
CID 155659713
2-pentyl-1H-pyrrol-3-amine
CID 69371846
3-hexyl-1H-pyrrol-2-ol
CID 140967880
2-methyl-3-pentadecyl-1H-pyrrole
CID 173176418
2-methyl-3-tetracosyl-1H-pyrrole
CID 173176335
2-methyl-3-tetradecyl-1H-pyrrole;hydrobromide
CID 174987757
(2-octylphenyl)methanol
CID 19826681
3-hydroxy-4-octadecyl-1H-pyridin-2-one
CID 151285880
ethyl 2-undecyl-1H-pyrrole-3-carboxylate
CID 11449260
3-(3-butyl-1H-pyrrol-2-yl)propyl-triethoxysilane
CID 91394935

Frequently Asked Questions

What is the IUPAC name of (2-pentyl-1H-pyrrol-3-yl)methanol?
The IUPAC name of (2-pentyl-1H-pyrrol-3-yl)methanol (CID 67828685) is (2-pentyl-1H-pyrrol-3-yl)methanol.
What is the SMILES notation for (2-pentyl-1H-pyrrol-3-yl)methanol?
The canonical SMILES for (2-pentyl-1H-pyrrol-3-yl)methanol is CCCCCc1[nH]ccc1CO.
What is the InChIKey of (2-pentyl-1H-pyrrol-3-yl)methanol?
The InChIKey is YNFYMEUCBIIKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-2-3-4-5-10-9(8-12)6-7-11-10/h6-7,11-12H,2-5,8H2,1H3.
What are the key properties of (2-pentyl-1H-pyrrol-3-yl)methanol?
(2-pentyl-1H-pyrrol-3-yl)methanol has a molecular weight of 167.25 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-pentyl-1H-pyrrol-3-yl)methanol is sourced from PubChem (CID 67828685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).