3,3-dimethyl-1-(1H-pyrrol-2-yl)butan-1-ol

C10H17NO — CID 63748383

IUPAC3,3-dimethyl-1-(1H-pyrrol-2-yl)butan-1-ol
SMILESCC(C)(C)CC(O)c1ccc[nH]1
InChIInChI=1S/C10H17NO/c1-10(2,3)7-9(12)8-5-4-6-11-8/h4-6,9,11-12H,7H2,1-3H3
InChIKeyKWBSCBOHPJWZRE-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.48
Rot. Bonds2

About 3,3-dimethyl-1-(1H-pyrrol-2-yl)butan-1-ol

3,3-dimethyl-1-(1H-pyrrol-2-yl)butan-1-ol (PubChem CID 63748383) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 3,3-dimethyl-1-(1H-pyrrol-2-yl)butan-1-ol.

Molecular Properties

Compound Name3,3-dimethyl-1-(1H-pyrrol-2-yl)butan-1-ol
PubChem CID63748383
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name3,3-dimethyl-1-(1H-pyrrol-2-yl)butan-1-ol
SMILESCC(C)(C)CC(O)c1ccc[nH]1
InChIInChI=1S/C10H17NO/c1-10(2,3)7-9(12)8-5-4-6-11-8/h4-6,9,11-12H,7H2,1-3H3
InChIKeyKWBSCBOHPJWZRE-UHFFFAOYSA-N
XLogP2.48
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(1H-pyrrol-2-yl)butan-1-ol?
The IUPAC name of 3,3-dimethyl-1-(1H-pyrrol-2-yl)butan-1-ol (CID 63748383) is 3,3-dimethyl-1-(1H-pyrrol-2-yl)butan-1-ol.
What is the SMILES notation for 3,3-dimethyl-1-(1H-pyrrol-2-yl)butan-1-ol?
The canonical SMILES for 3,3-dimethyl-1-(1H-pyrrol-2-yl)butan-1-ol is CC(C)(C)CC(O)c1ccc[nH]1.
What is the InChIKey of 3,3-dimethyl-1-(1H-pyrrol-2-yl)butan-1-ol?
The InChIKey is KWBSCBOHPJWZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-10(2,3)7-9(12)8-5-4-6-11-8/h4-6,9,11-12H,7H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-(1H-pyrrol-2-yl)butan-1-ol?
3,3-dimethyl-1-(1H-pyrrol-2-yl)butan-1-ol has a molecular weight of 167.25 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(1H-pyrrol-2-yl)butan-1-ol is sourced from PubChem (CID 63748383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).