(3-tert-butyl-2,5-dihydro-1H-pyrrol-2-yl)methanol

C9H17NO — CID 89159148

IUPAC(3-tert-butyl-2,5-dihydro-1H-pyrrol-2-yl)methanol
SMILESCC(C)(C)C1=CCNC1CO
InChIInChI=1S/C9H17NO/c1-9(2,3)7-4-5-10-8(7)6-11/h4,8,10-11H,5-6H2,1-3H3
InChIKeyCILKPKNTKZDUEF-UHFFFAOYSA-N
MW155.24 g/mol
LogP0.92
Rot. Bonds1

About (3-tert-butyl-2,5-dihydro-1H-pyrrol-2-yl)methanol

(3-tert-butyl-2,5-dihydro-1H-pyrrol-2-yl)methanol (PubChem CID 89159148) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (3-tert-butyl-2,5-dihydro-1H-pyrrol-2-yl)methanol.

Molecular Properties

Compound Name(3-tert-butyl-2,5-dihydro-1H-pyrrol-2-yl)methanol
PubChem CID89159148
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(3-tert-butyl-2,5-dihydro-1H-pyrrol-2-yl)methanol
SMILESCC(C)(C)C1=CCNC1CO
InChIInChI=1S/C9H17NO/c1-9(2,3)7-4-5-10-8(7)6-11/h4,8,10-11H,5-6H2,1-3H3
InChIKeyCILKPKNTKZDUEF-UHFFFAOYSA-N
XLogP0.92
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-tert-butyl-2,5-dihydro-1H-pyrrol-2-yl)methanol?
The IUPAC name of (3-tert-butyl-2,5-dihydro-1H-pyrrol-2-yl)methanol (CID 89159148) is (3-tert-butyl-2,5-dihydro-1H-pyrrol-2-yl)methanol.
What is the SMILES notation for (3-tert-butyl-2,5-dihydro-1H-pyrrol-2-yl)methanol?
The canonical SMILES for (3-tert-butyl-2,5-dihydro-1H-pyrrol-2-yl)methanol is CC(C)(C)C1=CCNC1CO.
What is the InChIKey of (3-tert-butyl-2,5-dihydro-1H-pyrrol-2-yl)methanol?
The InChIKey is CILKPKNTKZDUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-9(2,3)7-4-5-10-8(7)6-11/h4,8,10-11H,5-6H2,1-3H3.
What are the key properties of (3-tert-butyl-2,5-dihydro-1H-pyrrol-2-yl)methanol?
(3-tert-butyl-2,5-dihydro-1H-pyrrol-2-yl)methanol has a molecular weight of 155.24 g/mol, XLogP of 0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butyl-2,5-dihydro-1H-pyrrol-2-yl)methanol is sourced from PubChem (CID 89159148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).