N-ethenyl-2-(6-nitro-2,3-dihydroindol-1-yl)-N-[(Z)-propylideneamino]ethanamine

C15H20N4O2 — CID 156801818

IUPACN-ethenyl-2-(6-nitro-2,3-dihydroindol-1-yl)-N-[(Z)-propylideneamino]ethanamine
SMILESC=CN(CCN1CCc2ccc([N+](=O)[O-])cc21)/N=C\CC
InChIInChI=1S/C15H20N4O2/c1-3-8-16-18(4-2)11-10-17-9-7-13-5-6-14(19(20)21)12-15(13)17/h4-6,8,12H,2-3,7,9-11H2,1H3/b16-8-
InChIKeyQRZRFNJDCXSYKH-PXNMLYILSA-N
MW288.35 g/mol
LogP2.80
Rot. Bonds7

About N-ethenyl-2-(6-nitro-2,3-dihydroindol-1-yl)-N-[(Z)-propylideneamino]ethanamine

N-ethenyl-2-(6-nitro-2,3-dihydroindol-1-yl)-N-[(Z)-propylideneamino]ethanamine (PubChem CID 156801818) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-ethenyl-2-(6-nitro-2,3-dihydroindol-1-yl)-N-[(Z)-propylideneamino]ethanamine.

Molecular Properties

Compound NameN-ethenyl-2-(6-nitro-2,3-dihydroindol-1-yl)-N-[(Z)-propylideneamino]ethanamine
PubChem CID156801818
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC NameN-ethenyl-2-(6-nitro-2,3-dihydroindol-1-yl)-N-[(Z)-propylideneamino]ethanamine
SMILESC=CN(CCN1CCc2ccc([N+](=O)[O-])cc21)/N=C\CC
InChIInChI=1S/C15H20N4O2/c1-3-8-16-18(4-2)11-10-17-9-7-13-5-6-14(19(20)21)12-15(13)17/h4-6,8,12H,2-3,7,9-11H2,1H3/b16-8-
InChIKeyQRZRFNJDCXSYKH-PXNMLYILSA-N
XLogP2.80
TPSA61.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-2-(6-nitro-2,3-dihydroindol-1-yl)-N-[(Z)-propylideneamino]ethanamine?
The IUPAC name of N-ethenyl-2-(6-nitro-2,3-dihydroindol-1-yl)-N-[(Z)-propylideneamino]ethanamine (CID 156801818) is N-ethenyl-2-(6-nitro-2,3-dihydroindol-1-yl)-N-[(Z)-propylideneamino]ethanamine.
What is the SMILES notation for N-ethenyl-2-(6-nitro-2,3-dihydroindol-1-yl)-N-[(Z)-propylideneamino]ethanamine?
The canonical SMILES for N-ethenyl-2-(6-nitro-2,3-dihydroindol-1-yl)-N-[(Z)-propylideneamino]ethanamine is C=CN(CCN1CCc2ccc([N+](=O)[O-])cc21)/N=C\CC.
What is the InChIKey of N-ethenyl-2-(6-nitro-2,3-dihydroindol-1-yl)-N-[(Z)-propylideneamino]ethanamine?
The InChIKey is QRZRFNJDCXSYKH-PXNMLYILSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-3-8-16-18(4-2)11-10-17-9-7-13-5-6-14(19(20)21)12-15(13)17/h4-6,8,12H,2-3,7,9-11H2,1H3/b16-8-.
What are the key properties of N-ethenyl-2-(6-nitro-2,3-dihydroindol-1-yl)-N-[(Z)-propylideneamino]ethanamine?
N-ethenyl-2-(6-nitro-2,3-dihydroindol-1-yl)-N-[(Z)-propylideneamino]ethanamine has a molecular weight of 288.35 g/mol, XLogP of 2.80, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-2-(6-nitro-2,3-dihydroindol-1-yl)-N-[(Z)-propylideneamino]ethanamine is sourced from PubChem (CID 156801818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).