[(E)-hex-2-enyl] N-[3-[1-(2,2-dimethylpropyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indol-5-yl]carbamate

C25H35N3O2 — CID 19710031

IUPAC[(E)-hex-2-enyl] N-[3-[1-(2,2-dimethylpropyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indol-5-yl]carbamate
SMILESCCC/C=C/COC(=O)Nc1ccc2[nH]cc(C3=CCN(CC(C)(C)C)CC3)c2c1
InChIInChI=1S/C25H35N3O2/c1-5-6-7-8-15-30-24(29)27-20-9-10-23-21(16-20)22(17-26-23)19-11-13-28(14-12-19)18-25(2,3)4/h7-11,16-17,26H,5-6,12-15,18H2,1-4H3,(H,27,29)/b8-7+
InChIKeyHLQPHQIMQFCGBE-BQYQJAHWSA-N
MW409.57 g/mol
LogP6.21
Rot. Bonds7

About [(E)-hex-2-enyl] N-[3-[1-(2,2-dimethylpropyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indol-5-yl]carbamate

[(E)-hex-2-enyl] N-[3-[1-(2,2-dimethylpropyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indol-5-yl]carbamate (PubChem CID 19710031) has the molecular formula C25H35N3O2 and a molecular weight of 409.57 g/mol. Its IUPAC name is [(E)-hex-2-enyl] N-[3-[1-(2,2-dimethylpropyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indol-5-yl]carbamate.

Molecular Properties

Compound Name[(E)-hex-2-enyl] N-[3-[1-(2,2-dimethylpropyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indol-5-yl]carbamate
PubChem CID19710031
Molecular FormulaC25H35N3O2
Molecular Weight409.57 g/mol
Exact Mass409.27
IUPAC Name[(E)-hex-2-enyl] N-[3-[1-(2,2-dimethylpropyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indol-5-yl]carbamate
SMILESCCC/C=C/COC(=O)Nc1ccc2[nH]cc(C3=CCN(CC(C)(C)C)CC3)c2c1
InChIInChI=1S/C25H35N3O2/c1-5-6-7-8-15-30-24(29)27-20-9-10-23-21(16-20)22(17-26-23)19-11-13-28(14-12-19)18-25(2,3)4/h7-11,16-17,26H,5-6,12-15,18H2,1-4H3,(H,27,29)/b8-7+
InChIKeyHLQPHQIMQFCGBE-BQYQJAHWSA-N
XLogP6.21
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.57
LogP ≤ 56.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

but-2-enedioic acid;N-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]propanamide
CID 70105932
N-[3-(1-pentan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]benzamide;N-[3-(1-pentyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]benzamide
CID 158913056
1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-2-amine
CID 116997235
5-methylsulfanyl-3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
CID 3066252
tert-butyl 4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 12072032
N-[3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1H-indol-5-yl]-4-ethoxybutanamide
CID 54246048
4-(5-amino-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 66958274
1-[4-(5-bromo-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethylpropan-1-one
CID 84560865
3-[4-[4-(5-carbamoyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole-5-carboxamide
CID 21469442
5-methoxy-3-[1-(2-methoxyethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
CID 71939904
ethyl 3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-6-carboxylate
CID 66863463
6-methoxy-3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
CID 3055742

Frequently Asked Questions

What is the IUPAC name of [(E)-hex-2-enyl] N-[3-[1-(2,2-dimethylpropyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indol-5-yl]carbamate?
The IUPAC name of [(E)-hex-2-enyl] N-[3-[1-(2,2-dimethylpropyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indol-5-yl]carbamate (CID 19710031) is [(E)-hex-2-enyl] N-[3-[1-(2,2-dimethylpropyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indol-5-yl]carbamate.
What is the SMILES notation for [(E)-hex-2-enyl] N-[3-[1-(2,2-dimethylpropyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indol-5-yl]carbamate?
The canonical SMILES for [(E)-hex-2-enyl] N-[3-[1-(2,2-dimethylpropyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indol-5-yl]carbamate is CCC/C=C/COC(=O)Nc1ccc2[nH]cc(C3=CCN(CC(C)(C)C)CC3)c2c1.
What is the InChIKey of [(E)-hex-2-enyl] N-[3-[1-(2,2-dimethylpropyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indol-5-yl]carbamate?
The InChIKey is HLQPHQIMQFCGBE-BQYQJAHWSA-N. The full InChI is InChI=1S/C25H35N3O2/c1-5-6-7-8-15-30-24(29)27-20-9-10-23-21(16-20)22(17-26-23)19-11-13-28(14-12-19)18-25(2,3)4/h7-11,16-17,26H,5-6,12-15,18H2,1-4H3,(H,27,29)/b8-7+.
What are the key properties of [(E)-hex-2-enyl] N-[3-[1-(2,2-dimethylpropyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indol-5-yl]carbamate?
[(E)-hex-2-enyl] N-[3-[1-(2,2-dimethylpropyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indol-5-yl]carbamate has a molecular weight of 409.57 g/mol, XLogP of 6.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-hex-2-enyl] N-[3-[1-(2,2-dimethylpropyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indol-5-yl]carbamate is sourced from PubChem (CID 19710031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).