(1-pent-4-enylindol-7-yl)methanol

C14H17NO — CID 102912127

IUPAC(1-pent-4-enylindol-7-yl)methanol
SMILESC=CCCCn1ccc2cccc(CO)c21
InChIInChI=1S/C14H17NO/c1-2-3-4-9-15-10-8-12-6-5-7-13(11-16)14(12)15/h2,5-8,10,16H,1,3-4,9,11H2
InChIKeyGNNLGNNOFWGODR-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.10
Rot. Bonds5

About (1-pent-4-enylindol-7-yl)methanol

(1-pent-4-enylindol-7-yl)methanol (PubChem CID 102912127) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is (1-pent-4-enylindol-7-yl)methanol.

Molecular Properties

Compound Name(1-pent-4-enylindol-7-yl)methanol
PubChem CID102912127
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name(1-pent-4-enylindol-7-yl)methanol
SMILESC=CCCCn1ccc2cccc(CO)c21
InChIInChI=1S/C14H17NO/c1-2-3-4-9-15-10-8-12-6-5-7-13(11-16)14(12)15/h2,5-8,10,16H,1,3-4,9,11H2
InChIKeyGNNLGNNOFWGODR-UHFFFAOYSA-N
XLogP3.10
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1-hept-6-enylindol-7-yl)methanol
CID 107008139
2-[7-(hydroxymethyl)indol-1-yl]ethanol
CID 102912014
[1-(3-phenylpropyl)indol-7-yl]methanol
CID 102911939
[1-(2-methylsulfanylethyl)indol-7-yl]methanol
CID 102912009
(1-prop-2-ynylindol-7-yl)methanol
CID 102912084
[1-[2-(2,2,2-trifluoroethoxy)ethyl]indol-7-yl]methanol
CID 102911952
1-pent-4-enylpyrrolo[2,3-b]pyridine
CID 175838520
5-[7-(methylaminomethyl)indol-1-yl]pentan-1-ol
CID 102913749
5-[7-(ethylaminomethyl)indol-1-yl]pentan-1-ol
CID 102914086
methyl 2-[7-(hydroxymethyl)indol-1-yl]acetate
CID 102912191
[1-(2-methoxypropyl)indol-7-yl]methanol
CID 102912071
2-[7-(hydroxymethyl)indol-1-yl]-N-(3-methylbutan-2-yl)acetamide
CID 102912115

Frequently Asked Questions

What is the IUPAC name of (1-pent-4-enylindol-7-yl)methanol?
The IUPAC name of (1-pent-4-enylindol-7-yl)methanol (CID 102912127) is (1-pent-4-enylindol-7-yl)methanol.
What is the SMILES notation for (1-pent-4-enylindol-7-yl)methanol?
The canonical SMILES for (1-pent-4-enylindol-7-yl)methanol is C=CCCCn1ccc2cccc(CO)c21.
What is the InChIKey of (1-pent-4-enylindol-7-yl)methanol?
The InChIKey is GNNLGNNOFWGODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-2-3-4-9-15-10-8-12-6-5-7-13(11-16)14(12)15/h2,5-8,10,16H,1,3-4,9,11H2.
What are the key properties of (1-pent-4-enylindol-7-yl)methanol?
(1-pent-4-enylindol-7-yl)methanol has a molecular weight of 215.30 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-pent-4-enylindol-7-yl)methanol is sourced from PubChem (CID 102912127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).