3,4-dimethyl-1-propan-2-ylpyrrol-2-ol

C9H15NO — CID 134891005

IUPAC3,4-dimethyl-1-propan-2-ylpyrrol-2-ol
SMILESCc1cn(C(C)C)c(O)c1C
InChIInChI=1S/C9H15NO/c1-6(2)10-5-7(3)8(4)9(10)11/h5-6,11H,1-4H3
InChIKeyGMZYOJKMZONKNF-UHFFFAOYSA-N
MW153.22 g/mol
LogP2.39
Rot. Bonds1

About 3,4-dimethyl-1-propan-2-ylpyrrol-2-ol

3,4-dimethyl-1-propan-2-ylpyrrol-2-ol (PubChem CID 134891005) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 3,4-dimethyl-1-propan-2-ylpyrrol-2-ol.

Molecular Properties

Compound Name3,4-dimethyl-1-propan-2-ylpyrrol-2-ol
PubChem CID134891005
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name3,4-dimethyl-1-propan-2-ylpyrrol-2-ol
SMILESCc1cn(C(C)C)c(O)c1C
InChIInChI=1S/C9H15NO/c1-6(2)10-5-7(3)8(4)9(10)11/h5-6,11H,1-4H3
InChIKeyGMZYOJKMZONKNF-UHFFFAOYSA-N
XLogP2.39
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methyl-1H-pyrrol-2-ol
CID 13795008
1-Methyl-4-(trifluoromethyl)pyrrol-2-ol
CID 11321153
1-Amino-3-fluoro-4-methylpyrrol-2-ol
CID 163581852
(4-Methyl-1-prop-2-enylpyrrol-3-yl)methanol
CID 134962578
1,5-Dihydroxy-3,4-dimethyl-2-hydrogen-pyrrole
CID 171393951
[1-ethyl-4-(trifluoromethyl)-1H-pyrrol-3-yl]methanol
CID 165445295
[1-(propan-2-yl)-4-(trifluoromethyl)-1H-pyrrol-3-yl]methanol
CID 165448386
3,4-Dimethyl-1H-pyrrol-2-ol
CID 13795006
(1-Methyl-1H-pyrrole-3,4-diyl)dimethanol
CID 14933711
1,4-Dimethylpyrrol-2-ol
CID 21702812
1-Ethylpyrrol-2-ol
CID 21702822
1,3-Dimethylpyrrol-2-ol
CID 21702831

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-propan-2-ylpyrrol-2-ol?
The IUPAC name of 3,4-dimethyl-1-propan-2-ylpyrrol-2-ol (CID 134891005) is 3,4-dimethyl-1-propan-2-ylpyrrol-2-ol.
What is the SMILES notation for 3,4-dimethyl-1-propan-2-ylpyrrol-2-ol?
The canonical SMILES for 3,4-dimethyl-1-propan-2-ylpyrrol-2-ol is Cc1cn(C(C)C)c(O)c1C.
What is the InChIKey of 3,4-dimethyl-1-propan-2-ylpyrrol-2-ol?
The InChIKey is GMZYOJKMZONKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-6(2)10-5-7(3)8(4)9(10)11/h5-6,11H,1-4H3.
What are the key properties of 3,4-dimethyl-1-propan-2-ylpyrrol-2-ol?
3,4-dimethyl-1-propan-2-ylpyrrol-2-ol has a molecular weight of 153.22 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-propan-2-ylpyrrol-2-ol is sourced from PubChem (CID 134891005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).