3-pent-4-en-2-yl-1H-indol-2-amine

C13H16N2 — CID 142468462

IUPAC3-pent-4-en-2-yl-1H-indol-2-amine
SMILESC=CCC(C)c1c(N)[nH]c2ccccc12
InChIInChI=1S/C13H16N2/c1-3-6-9(2)12-10-7-4-5-8-11(10)15-13(12)14/h3-5,7-9,15H,1,6,14H2,2H3
InChIKeyXSBOVFUWUAOISR-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.43
Rot. Bonds3

About 3-pent-4-en-2-yl-1H-indol-2-amine

3-pent-4-en-2-yl-1H-indol-2-amine (PubChem CID 142468462) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-pent-4-en-2-yl-1H-indol-2-amine.

Molecular Properties

Compound Name3-pent-4-en-2-yl-1H-indol-2-amine
PubChem CID142468462
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name3-pent-4-en-2-yl-1H-indol-2-amine
SMILESC=CCC(C)c1c(N)[nH]c2ccccc12
InChIInChI=1S/C13H16N2/c1-3-6-9(2)12-10-7-4-5-8-11(10)15-13(12)14/h3-5,7-9,15H,1,6,14H2,2H3
InChIKeyXSBOVFUWUAOISR-UHFFFAOYSA-N
XLogP3.43
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-hexan-2-yl-1H-indol-2-amine
CID 151629359
(1R)-1-(2-methyl-1H-indol-3-yl)pent-4-en-1-amine
CID 171206860
3-amino-4-prop-2-enyl-1H-quinolin-2-one
CID 67155739
3-(2-methyl-1H-indol-3-yl)butan-1-amine
CID 82397034
2,3-di(propan-2-yl)-1H-indole
CID 15398122
bis(9H-carbazole);propane
CID 90987002
9H-carbazole;ethane
CID 91098062
bis(9H-carbazole);ethane
CID 145072085
2-propan-2-yl-1H-indol-3-amine
CID 166774840
3-[(1S)-1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-1H-indol-2-amine
CID 159612419
3-(1-aminoethyl)-1H-indole-2-carboxamide
CID 163850890
9H-carbazole;prop-2-enamide
CID 174545742

Frequently Asked Questions

What is the IUPAC name of 3-pent-4-en-2-yl-1H-indol-2-amine?
The IUPAC name of 3-pent-4-en-2-yl-1H-indol-2-amine (CID 142468462) is 3-pent-4-en-2-yl-1H-indol-2-amine.
What is the SMILES notation for 3-pent-4-en-2-yl-1H-indol-2-amine?
The canonical SMILES for 3-pent-4-en-2-yl-1H-indol-2-amine is C=CCC(C)c1c(N)[nH]c2ccccc12.
What is the InChIKey of 3-pent-4-en-2-yl-1H-indol-2-amine?
The InChIKey is XSBOVFUWUAOISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-3-6-9(2)12-10-7-4-5-8-11(10)15-13(12)14/h3-5,7-9,15H,1,6,14H2,2H3.
What are the key properties of 3-pent-4-en-2-yl-1H-indol-2-amine?
3-pent-4-en-2-yl-1H-indol-2-amine has a molecular weight of 200.28 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pent-4-en-2-yl-1H-indol-2-amine is sourced from PubChem (CID 142468462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).