2-methyl-1-(1-methylindol-2-yl)buta-2,3-dien-1-ol

C14H15NO — CID 54756628

IUPAC2-methyl-1-(1-methylindol-2-yl)buta-2,3-dien-1-ol
SMILESC=C=C(C)C(O)c1cc2ccccc2n1C
InChIInChI=1S/C14H15NO/c1-4-10(2)14(16)13-9-11-7-5-6-8-12(11)15(13)3/h5-9,14,16H,1H2,2-3H3
InChIKeyADKYIRQYYHAERT-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.94
Rot. Bonds2

About 2-methyl-1-(1-methylindol-2-yl)buta-2,3-dien-1-ol

2-methyl-1-(1-methylindol-2-yl)buta-2,3-dien-1-ol (PubChem CID 54756628) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-methyl-1-(1-methylindol-2-yl)buta-2,3-dien-1-ol.

Molecular Properties

Compound Name2-methyl-1-(1-methylindol-2-yl)buta-2,3-dien-1-ol
PubChem CID54756628
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name2-methyl-1-(1-methylindol-2-yl)buta-2,3-dien-1-ol
SMILESC=C=C(C)C(O)c1cc2ccccc2n1C
InChIInChI=1S/C14H15NO/c1-4-10(2)14(16)13-9-11-7-5-6-8-12(11)15(13)3/h5-9,14,16H,1H2,2-3H3
InChIKeyADKYIRQYYHAERT-UHFFFAOYSA-N
XLogP2.94
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(3R)-3-hydroxy-3-(1-methylindol-2-yl)propanoic acid
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2-[bis(phenylsulfanyl)methyl]-1-methylindole
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2-amino-2-(1-methylindol-2-yl)acetic acid
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CID 15175186
3-(1-hydroxy-2-phenylethyl)-1-methylquinolin-2-one
CID 16641429
CID 175336040
CID 175336040
benzene;1-methyl-2-phenylindole
CID 158316839
acetic acid;2-ethyl-1-methylindole
CID 70581856
2-[1-(4,5-dimethylfuran-2-yl)ethyl]-1-methylindole
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2-ethynyl-1-methylindole
CID 12839097

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1-methylindol-2-yl)buta-2,3-dien-1-ol?
The IUPAC name of 2-methyl-1-(1-methylindol-2-yl)buta-2,3-dien-1-ol (CID 54756628) is 2-methyl-1-(1-methylindol-2-yl)buta-2,3-dien-1-ol.
What is the SMILES notation for 2-methyl-1-(1-methylindol-2-yl)buta-2,3-dien-1-ol?
The canonical SMILES for 2-methyl-1-(1-methylindol-2-yl)buta-2,3-dien-1-ol is C=C=C(C)C(O)c1cc2ccccc2n1C.
What is the InChIKey of 2-methyl-1-(1-methylindol-2-yl)buta-2,3-dien-1-ol?
The InChIKey is ADKYIRQYYHAERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-4-10(2)14(16)13-9-11-7-5-6-8-12(11)15(13)3/h5-9,14,16H,1H2,2-3H3.
What are the key properties of 2-methyl-1-(1-methylindol-2-yl)buta-2,3-dien-1-ol?
2-methyl-1-(1-methylindol-2-yl)buta-2,3-dien-1-ol has a molecular weight of 213.28 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1-methylindol-2-yl)buta-2,3-dien-1-ol is sourced from PubChem (CID 54756628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).