4-(1H-indol-6-yl)but-3-en-1-ol

C12H13NO — CID 170476703

IUPAC4-(1H-indol-6-yl)but-3-en-1-ol
SMILESOCCC=Cc1ccc2cc[nH]c2c1
InChIInChI=1S/C12H13NO/c14-8-2-1-3-10-4-5-11-6-7-13-12(11)9-10/h1,3-7,9,13-14H,2,8H2
InChIKeyNPYZQRYTSQIYCD-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.56
Rot. Bonds3

About 4-(1H-indol-6-yl)but-3-en-1-ol

4-(1H-indol-6-yl)but-3-en-1-ol (PubChem CID 170476703) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 4-(1H-indol-6-yl)but-3-en-1-ol.

Molecular Properties

Compound Name4-(1H-indol-6-yl)but-3-en-1-ol
PubChem CID170476703
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name4-(1H-indol-6-yl)but-3-en-1-ol
SMILESOCCC=Cc1ccc2cc[nH]c2c1
InChIInChI=1S/C12H13NO/c14-8-2-1-3-10-4-5-11-6-7-13-12(11)9-10/h1,3-7,9,13-14H,2,8H2
InChIKeyNPYZQRYTSQIYCD-UHFFFAOYSA-N
XLogP2.56
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-4-(1H-indol-6-yl)-N-methylbut-3-en-1-amine
CID 18388284
3-(1H-indol-6-yl)prop-2-en-1-amine
CID 169463691
N-[4-(1H-indol-6-yl)but-3-enyl]acetamide
CID 170488820
4-naphthalen-2-ylbut-3-en-1-ol
CID 54291326
4-(1H-indol-5-yl)but-3-en-1-amine
CID 170487084
5-(4-bromobut-1-enyl)-1H-indole
CID 170497591
6-(4-hydroxybut-1-enyl)-2H-isoquinolin-3-one
CID 170477313
(E)-3-(1H-indol-6-yl)prop-2-enenitrile
CID 131245943
4-(1H-indazol-5-yl)but-3-en-1-ol
CID 170476685
4-(9H-carbazol-2-yl)but-3-en-1-ol
CID 170477509
2-fluoro-5-(4-hydroxybut-1-enyl)phenol
CID 170476152
N-[4-(1H-indol-5-yl)but-3-enyl]acetamide
CID 170488817

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-6-yl)but-3-en-1-ol?
The IUPAC name of 4-(1H-indol-6-yl)but-3-en-1-ol (CID 170476703) is 4-(1H-indol-6-yl)but-3-en-1-ol.
What is the SMILES notation for 4-(1H-indol-6-yl)but-3-en-1-ol?
The canonical SMILES for 4-(1H-indol-6-yl)but-3-en-1-ol is OCCC=Cc1ccc2cc[nH]c2c1.
What is the InChIKey of 4-(1H-indol-6-yl)but-3-en-1-ol?
The InChIKey is NPYZQRYTSQIYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c14-8-2-1-3-10-4-5-11-6-7-13-12(11)9-10/h1,3-7,9,13-14H,2,8H2.
What are the key properties of 4-(1H-indol-6-yl)but-3-en-1-ol?
4-(1H-indol-6-yl)but-3-en-1-ol has a molecular weight of 187.24 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-6-yl)but-3-en-1-ol is sourced from PubChem (CID 170476703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).