2-methylidene-4-pentyl-4,5,6,7-tetrahydroindole

C14H21N — CID 70432920

IUPAC2-methylidene-4-pentyl-4,5,6,7-tetrahydroindole
SMILESC=C1C=C2C(=N1)CCCC2CCCCC
InChIInChI=1S/C14H21N/c1-3-4-5-7-12-8-6-9-14-13(12)10-11(2)15-14/h10,12H,2-9H2,1H3
InChIKeyGQRHNDVVSKELFY-UHFFFAOYSA-N
MW203.33 g/mol
LogP4.26
Rot. Bonds4

About 2-methylidene-4-pentyl-4,5,6,7-tetrahydroindole

2-methylidene-4-pentyl-4,5,6,7-tetrahydroindole (PubChem CID 70432920) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 2-methylidene-4-pentyl-4,5,6,7-tetrahydroindole.

Molecular Properties

Compound Name2-methylidene-4-pentyl-4,5,6,7-tetrahydroindole
PubChem CID70432920
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name2-methylidene-4-pentyl-4,5,6,7-tetrahydroindole
SMILESC=C1C=C2C(=N1)CCCC2CCCCC
InChIInChI=1S/C14H21N/c1-3-4-5-7-12-8-6-9-14-13(12)10-11(2)15-14/h10,12H,2-9H2,1H3
InChIKeyGQRHNDVVSKELFY-UHFFFAOYSA-N
XLogP4.26
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-4-pentyl-4,5,6,7-tetrahydroindole?
The IUPAC name of 2-methylidene-4-pentyl-4,5,6,7-tetrahydroindole (CID 70432920) is 2-methylidene-4-pentyl-4,5,6,7-tetrahydroindole.
What is the SMILES notation for 2-methylidene-4-pentyl-4,5,6,7-tetrahydroindole?
The canonical SMILES for 2-methylidene-4-pentyl-4,5,6,7-tetrahydroindole is C=C1C=C2C(=N1)CCCC2CCCCC.
What is the InChIKey of 2-methylidene-4-pentyl-4,5,6,7-tetrahydroindole?
The InChIKey is GQRHNDVVSKELFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-3-4-5-7-12-8-6-9-14-13(12)10-11(2)15-14/h10,12H,2-9H2,1H3.
What are the key properties of 2-methylidene-4-pentyl-4,5,6,7-tetrahydroindole?
2-methylidene-4-pentyl-4,5,6,7-tetrahydroindole has a molecular weight of 203.33 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-4-pentyl-4,5,6,7-tetrahydroindole is sourced from PubChem (CID 70432920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).