(1-but-3-ynylindol-6-yl)methanol

C13H13NO — CID 102913204

IUPAC(1-but-3-ynylindol-6-yl)methanol
SMILESC#CCCn1ccc2ccc(CO)cc21
InChIInChI=1S/C13H13NO/c1-2-3-7-14-8-6-12-5-4-11(10-15)9-13(12)14/h1,4-6,8-9,15H,3,7,10H2
InChIKeyRUCZQXOEBGXYMT-UHFFFAOYSA-N
MW199.25 g/mol
LogP2.16
Rot. Bonds3

About (1-but-3-ynylindol-6-yl)methanol

(1-but-3-ynylindol-6-yl)methanol (PubChem CID 102913204) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is (1-but-3-ynylindol-6-yl)methanol.

Molecular Properties

Compound Name(1-but-3-ynylindol-6-yl)methanol
PubChem CID102913204
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name(1-but-3-ynylindol-6-yl)methanol
SMILESC#CCCn1ccc2ccc(CO)cc21
InChIInChI=1S/C13H13NO/c1-2-3-7-14-8-6-12-5-4-11(10-15)9-13(12)14/h1,4-6,8-9,15H,3,7,10H2
InChIKeyRUCZQXOEBGXYMT-UHFFFAOYSA-N
XLogP2.16
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-but-3-ynylindole-6-carboxylic acid
CID 63750392
[1-(3-phenylpropyl)indol-6-yl]methanol
CID 102913034
[1-[2-(4-methoxyphenyl)ethyl]indol-6-yl]methanol
CID 102913068
[1-(2-methylpropyl)indol-6-yl]methanol
CID 102913005
4-[[6-(hydroxymethyl)indol-1-yl]methyl]phenol
CID 102913078
[1-(cyclopropylmethyl)indol-6-yl]methanol
CID 28958289
[1-[(4-methylphenyl)methyl]indol-6-yl]methanol
CID 28886893
6-fluoro-1-pent-4-ynylindole
CID 116620040
N-cyclopropyl-3-[6-(hydroxymethyl)indol-1-yl]propanamide
CID 102913058
3-[6-(aminomethyl)indol-1-yl]propan-1-ol
CID 102916381
[1-[(2,5-dimethylpyrazol-3-yl)methyl]indol-6-yl]methanol
CID 102913155
N-[(1-pent-3-ynylindol-6-yl)methyl]ethanamine
CID 104811742

Frequently Asked Questions

What is the IUPAC name of (1-but-3-ynylindol-6-yl)methanol?
The IUPAC name of (1-but-3-ynylindol-6-yl)methanol (CID 102913204) is (1-but-3-ynylindol-6-yl)methanol.
What is the SMILES notation for (1-but-3-ynylindol-6-yl)methanol?
The canonical SMILES for (1-but-3-ynylindol-6-yl)methanol is C#CCCn1ccc2ccc(CO)cc21.
What is the InChIKey of (1-but-3-ynylindol-6-yl)methanol?
The InChIKey is RUCZQXOEBGXYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c1-2-3-7-14-8-6-12-5-4-11(10-15)9-13(12)14/h1,4-6,8-9,15H,3,7,10H2.
What are the key properties of (1-but-3-ynylindol-6-yl)methanol?
(1-but-3-ynylindol-6-yl)methanol has a molecular weight of 199.25 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-but-3-ynylindol-6-yl)methanol is sourced from PubChem (CID 102913204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).