(4-methyl-1-prop-2-enylpyrrol-3-yl)methanol

C9H13NO — CID 134962578

IUPAC(4-methyl-1-prop-2-enylpyrrol-3-yl)methanol
SMILESC=CCn1cc(C)c(CO)c1
InChIInChI=1S/C9H13NO/c1-3-4-10-5-8(2)9(6-10)7-11/h3,5-6,11H,1,4,7H2,2H3
InChIKeyFRTIAQZISREIOR-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.47
Rot. Bonds3

About (4-methyl-1-prop-2-enylpyrrol-3-yl)methanol

(4-methyl-1-prop-2-enylpyrrol-3-yl)methanol (PubChem CID 134962578) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is (4-methyl-1-prop-2-enylpyrrol-3-yl)methanol.

Molecular Properties

Compound Name(4-methyl-1-prop-2-enylpyrrol-3-yl)methanol
PubChem CID134962578
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name(4-methyl-1-prop-2-enylpyrrol-3-yl)methanol
SMILESC=CCn1cc(C)c(CO)c1
InChIInChI=1S/C9H13NO/c1-3-4-10-5-8(2)9(6-10)7-11/h3,5-6,11H,1,4,7H2,2H3
InChIKeyFRTIAQZISREIOR-UHFFFAOYSA-N
XLogP1.47
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-Methylpyrrole-3-methanol
CID 149434
3-(2-Resp-3-methyl-1-pyrrolyl)propanol
CID 70163108
1-(2-propynyl)-3-trifluoromethyl-1H-pyrrole-4-methanol
CID 14370788
[1-(Trifluoromethyl)pyrrol-3-yl]methanol
CID 21221494
[1-Methyl-4-(trifluoromethyl)-1H-pyrrol-3-yl]methanol
CID 84656745
[1-[2-[Tert-butyl(dimethyl)silyl]oxyethyl]-4-(trifluoromethyl)pyrrol-3-yl]methanol
CID 140747661
[4-(Trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrol-3-yl]methanol
CID 140747701
[3-(Hydroxymethyl)-4-(trifluoromethyl)pyrrol-1-yl] thiohypofluorite
CID 145171541
(1-(Triisopropylsilyl)-1H-pyrrol-3-yl)methanol
CID 14890920
3,4-Dimethyl-1-propan-2-ylpyrrol-2-ol
CID 134891005
[1-(Difluoromethyl)pyrrol-3-yl]methanol
CID 66397422
[1-[2-(Trifluoromethoxy)ethyl]pyrrol-3-yl]methanol
CID 66398264

Frequently Asked Questions

What is the IUPAC name of (4-methyl-1-prop-2-enylpyrrol-3-yl)methanol?
The IUPAC name of (4-methyl-1-prop-2-enylpyrrol-3-yl)methanol (CID 134962578) is (4-methyl-1-prop-2-enylpyrrol-3-yl)methanol.
What is the SMILES notation for (4-methyl-1-prop-2-enylpyrrol-3-yl)methanol?
The canonical SMILES for (4-methyl-1-prop-2-enylpyrrol-3-yl)methanol is C=CCn1cc(C)c(CO)c1.
What is the InChIKey of (4-methyl-1-prop-2-enylpyrrol-3-yl)methanol?
The InChIKey is FRTIAQZISREIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-3-4-10-5-8(2)9(6-10)7-11/h3,5-6,11H,1,4,7H2,2H3.
What are the key properties of (4-methyl-1-prop-2-enylpyrrol-3-yl)methanol?
(4-methyl-1-prop-2-enylpyrrol-3-yl)methanol has a molecular weight of 151.21 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1-prop-2-enylpyrrol-3-yl)methanol is sourced from PubChem (CID 134962578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).