2-methyl-1-[1-(2-methylpropyl)pyrrol-3-yl]propan-1-ol

C12H21NO — CID 79097185

IUPAC2-methyl-1-[1-(2-methylpropyl)pyrrol-3-yl]propan-1-ol
SMILESCC(C)Cn1ccc(C(O)C(C)C)c1
InChIInChI=1S/C12H21NO/c1-9(2)7-13-6-5-11(8-13)12(14)10(3)4/h5-6,8-10,12,14H,7H2,1-4H3
InChIKeyUACQCHYJATZBPB-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.83
Rot. Bonds4

About 2-methyl-1-[1-(2-methylpropyl)pyrrol-3-yl]propan-1-ol

2-methyl-1-[1-(2-methylpropyl)pyrrol-3-yl]propan-1-ol (PubChem CID 79097185) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-methyl-1-[1-(2-methylpropyl)pyrrol-3-yl]propan-1-ol.

Molecular Properties

Compound Name2-methyl-1-[1-(2-methylpropyl)pyrrol-3-yl]propan-1-ol
PubChem CID79097185
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2-methyl-1-[1-(2-methylpropyl)pyrrol-3-yl]propan-1-ol
SMILESCC(C)Cn1ccc(C(O)C(C)C)c1
InChIInChI=1S/C12H21NO/c1-9(2)7-13-6-5-11(8-13)12(14)10(3)4/h5-6,8-10,12,14H,7H2,1-4H3
InChIKeyUACQCHYJATZBPB-UHFFFAOYSA-N
XLogP2.83
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-[1-(4-methylpentyl)pyrrol-3-yl]propan-1-ol
CID 83158832
1-[1-(2-bromoprop-2-enyl)pyrrol-3-yl]-2-methylpropan-1-ol
CID 79097013
1-[1-(2-methoxyethyl)pyrrol-3-yl]-2-methylpropan-1-ol
CID 79097770
N-methyl-1-[1-(2-methylpropyl)pyrrol-3-yl]ethanamine
CID 79099719
1-[1-[(4-chlorophenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-ol
CID 79097426
1-[1-[(3,4-difluorophenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-ol
CID 68771527
2-methyl-1-[1-(2-pyrrolidin-1-ylethyl)pyrrol-3-yl]propan-1-ol
CID 79096939
2-methyl-1-[1-(pyrimidin-2-ylmethyl)pyrrol-3-yl]propan-1-ol
CID 79098041
1-[1-[(4-methoxyphenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-ol
CID 79097108
3-[3-(1-hydroxy-2-methylpropyl)pyrrol-1-yl]-N,N-dimethylpropanamide
CID 79097273
methyl 3-[3-(1-hydroxy-2-methylpropyl)pyrrol-1-yl]propanoate
CID 79097942
1-(2-methylpropyl)pyrrole-3-carboxylic acid
CID 79009204

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[1-(2-methylpropyl)pyrrol-3-yl]propan-1-ol?
The IUPAC name of 2-methyl-1-[1-(2-methylpropyl)pyrrol-3-yl]propan-1-ol (CID 79097185) is 2-methyl-1-[1-(2-methylpropyl)pyrrol-3-yl]propan-1-ol.
What is the SMILES notation for 2-methyl-1-[1-(2-methylpropyl)pyrrol-3-yl]propan-1-ol?
The canonical SMILES for 2-methyl-1-[1-(2-methylpropyl)pyrrol-3-yl]propan-1-ol is CC(C)Cn1ccc(C(O)C(C)C)c1.
What is the InChIKey of 2-methyl-1-[1-(2-methylpropyl)pyrrol-3-yl]propan-1-ol?
The InChIKey is UACQCHYJATZBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-9(2)7-13-6-5-11(8-13)12(14)10(3)4/h5-6,8-10,12,14H,7H2,1-4H3.
What are the key properties of 2-methyl-1-[1-(2-methylpropyl)pyrrol-3-yl]propan-1-ol?
2-methyl-1-[1-(2-methylpropyl)pyrrol-3-yl]propan-1-ol has a molecular weight of 195.31 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[1-(2-methylpropyl)pyrrol-3-yl]propan-1-ol is sourced from PubChem (CID 79097185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).