1-[5-[(E)-2-cyclopropylprop-1-enyl]-6-ethenyl-2,3-dihydro-1H-isoindol-4-yl]-1-methylhydrazine

C17H23N3 — CID 156799634

IUPAC1-[5-[(E)-2-cyclopropylprop-1-enyl]-6-ethenyl-2,3-dihydro-1H-isoindol-4-yl]-1-methylhydrazine
SMILESC=Cc1cc2c(c(N(C)N)c1/C=C(\C)C1CC1)CNC2
InChIInChI=1S/C17H23N3/c1-4-12-8-14-9-19-10-16(14)17(20(3)18)15(12)7-11(2)13-5-6-13/h4,7-8,13,19H,1,5-6,9-10,18H2,2-3H3/b11-7+
InChIKeyFXKFLAOUVDRVOU-YRNVUSSQSA-N
MW269.39 g/mol
LogP3.06
Rot. Bonds4

About 1-[5-[(E)-2-cyclopropylprop-1-enyl]-6-ethenyl-2,3-dihydro-1H-isoindol-4-yl]-1-methylhydrazine

1-[5-[(E)-2-cyclopropylprop-1-enyl]-6-ethenyl-2,3-dihydro-1H-isoindol-4-yl]-1-methylhydrazine (PubChem CID 156799634) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-[5-[(E)-2-cyclopropylprop-1-enyl]-6-ethenyl-2,3-dihydro-1H-isoindol-4-yl]-1-methylhydrazine.

Molecular Properties

Compound Name1-[5-[(E)-2-cyclopropylprop-1-enyl]-6-ethenyl-2,3-dihydro-1H-isoindol-4-yl]-1-methylhydrazine
PubChem CID156799634
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name1-[5-[(E)-2-cyclopropylprop-1-enyl]-6-ethenyl-2,3-dihydro-1H-isoindol-4-yl]-1-methylhydrazine
SMILESC=Cc1cc2c(c(N(C)N)c1/C=C(\C)C1CC1)CNC2
InChIInChI=1S/C17H23N3/c1-4-12-8-14-9-19-10-16(14)17(20(3)18)15(12)7-11(2)13-5-6-13/h4,7-8,13,19H,1,5-6,9-10,18H2,2-3H3/b11-7+
InChIKeyFXKFLAOUVDRVOU-YRNVUSSQSA-N
XLogP3.06
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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 1-[5-[(E)-2-cyclopropylprop-1-enyl]-6-ethenyl-2,3-dihydro-1H-isoindol-4-yl]-1-methylhydrazine?
The IUPAC name of 1-[5-[(E)-2-cyclopropylprop-1-enyl]-6-ethenyl-2,3-dihydro-1H-isoindol-4-yl]-1-methylhydrazine (CID 156799634) is 1-[5-[(E)-2-cyclopropylprop-1-enyl]-6-ethenyl-2,3-dihydro-1H-isoindol-4-yl]-1-methylhydrazine.
What is the SMILES notation for 1-[5-[(E)-2-cyclopropylprop-1-enyl]-6-ethenyl-2,3-dihydro-1H-isoindol-4-yl]-1-methylhydrazine?
The canonical SMILES for 1-[5-[(E)-2-cyclopropylprop-1-enyl]-6-ethenyl-2,3-dihydro-1H-isoindol-4-yl]-1-methylhydrazine is C=Cc1cc2c(c(N(C)N)c1/C=C(\C)C1CC1)CNC2.
What is the InChIKey of 1-[5-[(E)-2-cyclopropylprop-1-enyl]-6-ethenyl-2,3-dihydro-1H-isoindol-4-yl]-1-methylhydrazine?
The InChIKey is FXKFLAOUVDRVOU-YRNVUSSQSA-N. The full InChI is InChI=1S/C17H23N3/c1-4-12-8-14-9-19-10-16(14)17(20(3)18)15(12)7-11(2)13-5-6-13/h4,7-8,13,19H,1,5-6,9-10,18H2,2-3H3/b11-7+.
What are the key properties of 1-[5-[(E)-2-cyclopropylprop-1-enyl]-6-ethenyl-2,3-dihydro-1H-isoindol-4-yl]-1-methylhydrazine?
1-[5-[(E)-2-cyclopropylprop-1-enyl]-6-ethenyl-2,3-dihydro-1H-isoindol-4-yl]-1-methylhydrazine has a molecular weight of 269.39 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(E)-2-cyclopropylprop-1-enyl]-6-ethenyl-2,3-dihydro-1H-isoindol-4-yl]-1-methylhydrazine is sourced from PubChem (CID 156799634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).