1-[1-(2-bromoprop-2-enyl)pyrrol-3-yl]-2-methylpropan-1-ol

C11H16BrNO — CID 79097013

IUPAC1-[1-(2-bromoprop-2-enyl)pyrrol-3-yl]-2-methylpropan-1-ol
SMILESC=C(Br)Cn1ccc(C(O)C(C)C)c1
InChIInChI=1S/C11H16BrNO/c1-8(2)11(14)10-4-5-13(7-10)6-9(3)12/h4-5,7-8,11,14H,3,6H2,1-2H3
InChIKeyQGTBQCBZDMAICF-UHFFFAOYSA-N
MW258.16 g/mol
LogP3.09
Rot. Bonds4

About 1-[1-(2-bromoprop-2-enyl)pyrrol-3-yl]-2-methylpropan-1-ol

1-[1-(2-bromoprop-2-enyl)pyrrol-3-yl]-2-methylpropan-1-ol (PubChem CID 79097013) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is 1-[1-(2-bromoprop-2-enyl)pyrrol-3-yl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-[1-(2-bromoprop-2-enyl)pyrrol-3-yl]-2-methylpropan-1-ol
PubChem CID79097013
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name1-[1-(2-bromoprop-2-enyl)pyrrol-3-yl]-2-methylpropan-1-ol
SMILESC=C(Br)Cn1ccc(C(O)C(C)C)c1
InChIInChI=1S/C11H16BrNO/c1-8(2)11(14)10-4-5-13(7-10)6-9(3)12/h4-5,7-8,11,14H,3,6H2,1-2H3
InChIKeyQGTBQCBZDMAICF-UHFFFAOYSA-N
XLogP3.09
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(2-bromoprop-2-enyl)pyrrol-3-yl]ethanol
CID 79106752
2-methyl-1-[1-(2-methylpropyl)pyrrol-3-yl]propan-1-ol
CID 79097185
1-[1-(2-methoxyethyl)pyrrol-3-yl]-2-methylpropan-1-ol
CID 79097770
2-methyl-1-[1-(4-methylpentyl)pyrrol-3-yl]propan-1-ol
CID 83158832
1-[1-[(4-chlorophenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-ol
CID 79097426
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
2-[3-(1-hydroxy-2-methylpropyl)pyrrol-1-yl]-N-(2-methoxyethyl)acetamide
CID 79097953
1-[1-[(3-bromothiophen-2-yl)methyl]pyrrol-3-yl]-2-methylpropan-1-ol
CID 79097594
1-[1-(2-bromoprop-2-enyl)pyrrol-3-yl]propan-1-one
CID 79099398
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

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-bromoprop-2-enyl)pyrrol-3-yl]-2-methylpropan-1-ol?
The IUPAC name of 1-[1-(2-bromoprop-2-enyl)pyrrol-3-yl]-2-methylpropan-1-ol (CID 79097013) is 1-[1-(2-bromoprop-2-enyl)pyrrol-3-yl]-2-methylpropan-1-ol.
What is the SMILES notation for 1-[1-(2-bromoprop-2-enyl)pyrrol-3-yl]-2-methylpropan-1-ol?
The canonical SMILES for 1-[1-(2-bromoprop-2-enyl)pyrrol-3-yl]-2-methylpropan-1-ol is C=C(Br)Cn1ccc(C(O)C(C)C)c1.
What is the InChIKey of 1-[1-(2-bromoprop-2-enyl)pyrrol-3-yl]-2-methylpropan-1-ol?
The InChIKey is QGTBQCBZDMAICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-8(2)11(14)10-4-5-13(7-10)6-9(3)12/h4-5,7-8,11,14H,3,6H2,1-2H3.
What are the key properties of 1-[1-(2-bromoprop-2-enyl)pyrrol-3-yl]-2-methylpropan-1-ol?
1-[1-(2-bromoprop-2-enyl)pyrrol-3-yl]-2-methylpropan-1-ol has a molecular weight of 258.16 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-bromoprop-2-enyl)pyrrol-3-yl]-2-methylpropan-1-ol is sourced from PubChem (CID 79097013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).