[1-(4-methyl-1H-pyrrol-2-yl)cyclohexa-2,4-dien-1-yl]methanol

C12H15NO — CID 172555848

IUPAC[1-(4-methyl-1H-pyrrol-2-yl)cyclohexa-2,4-dien-1-yl]methanol
SMILESCc1c[nH]c(C2(CO)C=CC=CC2)c1
InChIInChI=1S/C12H15NO/c1-10-7-11(13-8-10)12(9-14)5-3-2-4-6-12/h2-5,7-8,13-14H,6,9H2,1H3
InChIKeyMMTKPZTXJKURFQ-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.07
Rot. Bonds2

About [1-(4-methyl-1H-pyrrol-2-yl)cyclohexa-2,4-dien-1-yl]methanol

[1-(4-methyl-1H-pyrrol-2-yl)cyclohexa-2,4-dien-1-yl]methanol (PubChem CID 172555848) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is [1-(4-methyl-1H-pyrrol-2-yl)cyclohexa-2,4-dien-1-yl]methanol.

Molecular Properties

Compound Name[1-(4-methyl-1H-pyrrol-2-yl)cyclohexa-2,4-dien-1-yl]methanol
PubChem CID172555848
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name[1-(4-methyl-1H-pyrrol-2-yl)cyclohexa-2,4-dien-1-yl]methanol
SMILESCc1c[nH]c(C2(CO)C=CC=CC2)c1
InChIInChI=1S/C12H15NO/c1-10-7-11(13-8-10)12(9-14)5-3-2-4-6-12/h2-5,7-8,13-14H,6,9H2,1H3
InChIKeyMMTKPZTXJKURFQ-UHFFFAOYSA-N
XLogP2.07
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [1-(4-methyl-1H-pyrrol-2-yl)cyclohexa-2,4-dien-1-yl]methanol?
The IUPAC name of [1-(4-methyl-1H-pyrrol-2-yl)cyclohexa-2,4-dien-1-yl]methanol (CID 172555848) is [1-(4-methyl-1H-pyrrol-2-yl)cyclohexa-2,4-dien-1-yl]methanol.
What is the SMILES notation for [1-(4-methyl-1H-pyrrol-2-yl)cyclohexa-2,4-dien-1-yl]methanol?
The canonical SMILES for [1-(4-methyl-1H-pyrrol-2-yl)cyclohexa-2,4-dien-1-yl]methanol is Cc1c[nH]c(C2(CO)C=CC=CC2)c1.
What is the InChIKey of [1-(4-methyl-1H-pyrrol-2-yl)cyclohexa-2,4-dien-1-yl]methanol?
The InChIKey is MMTKPZTXJKURFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-10-7-11(13-8-10)12(9-14)5-3-2-4-6-12/h2-5,7-8,13-14H,6,9H2,1H3.
What are the key properties of [1-(4-methyl-1H-pyrrol-2-yl)cyclohexa-2,4-dien-1-yl]methanol?
[1-(4-methyl-1H-pyrrol-2-yl)cyclohexa-2,4-dien-1-yl]methanol has a molecular weight of 189.26 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methyl-1H-pyrrol-2-yl)cyclohexa-2,4-dien-1-yl]methanol is sourced from PubChem (CID 172555848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).