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

C9H12BrNO — CID 79106752

IUPAC1-[1-(2-bromoprop-2-enyl)pyrrol-3-yl]ethanol
SMILESC=C(Br)Cn1ccc(C(C)O)c1
InChIInChI=1S/C9H12BrNO/c1-7(10)5-11-4-3-9(6-11)8(2)12/h3-4,6,8,12H,1,5H2,2H3
InChIKeyANFYIMJYVHTRBP-UHFFFAOYSA-N
MW230.10 g/mol
LogP2.45
Rot. Bonds3

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

1-[1-(2-bromoprop-2-enyl)pyrrol-3-yl]ethanol (PubChem CID 79106752) has the molecular formula C9H12BrNO and a molecular weight of 230.10 g/mol. Its IUPAC name is 1-[1-(2-bromoprop-2-enyl)pyrrol-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-(2-bromoprop-2-enyl)pyrrol-3-yl]ethanol
PubChem CID79106752
Molecular FormulaC9H12BrNO
Molecular Weight230.10 g/mol
Exact Mass229.01
IUPAC Name1-[1-(2-bromoprop-2-enyl)pyrrol-3-yl]ethanol
SMILESC=C(Br)Cn1ccc(C(C)O)c1
InChIInChI=1S/C9H12BrNO/c1-7(10)5-11-4-3-9(6-11)8(2)12/h3-4,6,8,12H,1,5H2,2H3
InChIKeyANFYIMJYVHTRBP-UHFFFAOYSA-N
XLogP2.45
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.10
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(2-bromoprop-2-enyl)pyrrol-3-yl]-2-methylpropan-1-ol
CID 79097013
1-(1-ethylpyrrol-3-yl)ethanol
CID 79107280
1-[1-(2-bromoprop-2-enyl)pyrrol-3-yl]propan-1-one
CID 79099398
2-[3-(1-hydroxyethyl)pyrrol-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 79102906
3-[3-(1-hydroxyethyl)pyrrol-1-yl]propan-1-ol
CID 79107179
N-(cyclopropylmethyl)-2-[3-(1-hydroxyethyl)pyrrol-1-yl]acetamide
CID 79107389
1-[1-[(4-tert-butylphenyl)methyl]pyrrol-3-yl]ethanol
CID 79107076
[1-(2-bromoprop-2-enyl)pyrrol-3-yl]-cyclopropylmethanone
CID 79097088
1-[1-(3-phenylpropyl)pyrrol-3-yl]ethanol
CID 79106970
1-[1-[(1-methylimidazol-2-yl)methyl]pyrrol-3-yl]ethanol
CID 79107184
1-[1-(naphthalen-1-ylmethyl)pyrrol-3-yl]ethanol
CID 79101717
4-[3-(1-hydroxyethyl)pyrrol-1-yl]-N-methylbutanamide
CID 79102812

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-bromoprop-2-enyl)pyrrol-3-yl]ethanol?
The IUPAC name of 1-[1-(2-bromoprop-2-enyl)pyrrol-3-yl]ethanol (CID 79106752) is 1-[1-(2-bromoprop-2-enyl)pyrrol-3-yl]ethanol.
What is the SMILES notation for 1-[1-(2-bromoprop-2-enyl)pyrrol-3-yl]ethanol?
The canonical SMILES for 1-[1-(2-bromoprop-2-enyl)pyrrol-3-yl]ethanol is C=C(Br)Cn1ccc(C(C)O)c1.
What is the InChIKey of 1-[1-(2-bromoprop-2-enyl)pyrrol-3-yl]ethanol?
The InChIKey is ANFYIMJYVHTRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO/c1-7(10)5-11-4-3-9(6-11)8(2)12/h3-4,6,8,12H,1,5H2,2H3.
What are the key properties of 1-[1-(2-bromoprop-2-enyl)pyrrol-3-yl]ethanol?
1-[1-(2-bromoprop-2-enyl)pyrrol-3-yl]ethanol has a molecular weight of 230.10 g/mol, XLogP of 2.45, 3 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]ethanol is sourced from PubChem (CID 79106752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).