3-tert-butyl-2-methyl-5-methylidene-1,2-dihydropyrrol-4-ol

C10H17NO — CID 18735590

IUPAC3-tert-butyl-2-methyl-5-methylidene-1,2-dihydropyrrol-4-ol
SMILESC=C1NC(C)C(C(C)(C)C)=C1O
InChIInChI=1S/C10H17NO/c1-6-8(10(3,4)5)9(12)7(2)11-6/h6,11-12H,2H2,1,3-5H3
InChIKeyVCOJFOADYZXWLB-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.35
Rot. Bonds

About 3-tert-butyl-2-methyl-5-methylidene-1,2-dihydropyrrol-4-ol

3-tert-butyl-2-methyl-5-methylidene-1,2-dihydropyrrol-4-ol (PubChem CID 18735590) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 3-tert-butyl-2-methyl-5-methylidene-1,2-dihydropyrrol-4-ol.

Molecular Properties

Compound Name3-tert-butyl-2-methyl-5-methylidene-1,2-dihydropyrrol-4-ol
PubChem CID18735590
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name3-tert-butyl-2-methyl-5-methylidene-1,2-dihydropyrrol-4-ol
SMILESC=C1NC(C)C(C(C)(C)C)=C1O
InChIInChI=1S/C10H17NO/c1-6-8(10(3,4)5)9(12)7(2)11-6/h6,11-12H,2H2,1,3-5H3
InChIKeyVCOJFOADYZXWLB-UHFFFAOYSA-N
XLogP2.35
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-6-methylidene-3-propan-2-yl-2,3-dihydro-1H-pyridin-5-ol
CID 157164896

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-methyl-5-methylidene-1,2-dihydropyrrol-4-ol?
The IUPAC name of 3-tert-butyl-2-methyl-5-methylidene-1,2-dihydropyrrol-4-ol (CID 18735590) is 3-tert-butyl-2-methyl-5-methylidene-1,2-dihydropyrrol-4-ol.
What is the SMILES notation for 3-tert-butyl-2-methyl-5-methylidene-1,2-dihydropyrrol-4-ol?
The canonical SMILES for 3-tert-butyl-2-methyl-5-methylidene-1,2-dihydropyrrol-4-ol is C=C1NC(C)C(C(C)(C)C)=C1O.
What is the InChIKey of 3-tert-butyl-2-methyl-5-methylidene-1,2-dihydropyrrol-4-ol?
The InChIKey is VCOJFOADYZXWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-6-8(10(3,4)5)9(12)7(2)11-6/h6,11-12H,2H2,1,3-5H3.
What are the key properties of 3-tert-butyl-2-methyl-5-methylidene-1,2-dihydropyrrol-4-ol?
3-tert-butyl-2-methyl-5-methylidene-1,2-dihydropyrrol-4-ol has a molecular weight of 167.25 g/mol, XLogP of 2.35, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2-methyl-5-methylidene-1,2-dihydropyrrol-4-ol is sourced from PubChem (CID 18735590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).