3-[2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]hydrazinyl]propanenitrile

C10H15N3 — CID 88982335

IUPAC3-[2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]hydrazinyl]propanenitrile
SMILESC=C/C(=C\C=C/C)NNCCC#N
InChIInChI=1S/C10H15N3/c1-3-5-7-10(4-2)13-12-9-6-8-11/h3-5,7,12-13H,2,6,9H2,1H3/b5-3-,10-7+
InChIKeyUZJXMEOGEBQXOT-ZMSZASLQSA-N
MW177.25 g/mol
LogP1.64
Rot. Bonds6

About 3-[2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]hydrazinyl]propanenitrile

3-[2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]hydrazinyl]propanenitrile (PubChem CID 88982335) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 3-[2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]hydrazinyl]propanenitrile.

Molecular Properties

Compound Name3-[2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]hydrazinyl]propanenitrile
PubChem CID88982335
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name3-[2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]hydrazinyl]propanenitrile
SMILESC=C/C(=C\C=C/C)NNCCC#N
InChIInChI=1S/C10H15N3/c1-3-5-7-10(4-2)13-12-9-6-8-11/h3-5,7,12-13H,2,6,9H2,1H3/b5-3-,10-7+
InChIKeyUZJXMEOGEBQXOT-ZMSZASLQSA-N
XLogP1.64
TPSA47.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]hydrazinyl]propanenitrile?
The IUPAC name of 3-[2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]hydrazinyl]propanenitrile (CID 88982335) is 3-[2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]hydrazinyl]propanenitrile.
What is the SMILES notation for 3-[2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]hydrazinyl]propanenitrile?
The canonical SMILES for 3-[2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]hydrazinyl]propanenitrile is C=C/C(=C\C=C/C)NNCCC#N.
What is the InChIKey of 3-[2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]hydrazinyl]propanenitrile?
The InChIKey is UZJXMEOGEBQXOT-ZMSZASLQSA-N. The full InChI is InChI=1S/C10H15N3/c1-3-5-7-10(4-2)13-12-9-6-8-11/h3-5,7,12-13H,2,6,9H2,1H3/b5-3-,10-7+.
What are the key properties of 3-[2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]hydrazinyl]propanenitrile?
3-[2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]hydrazinyl]propanenitrile has a molecular weight of 177.25 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]hydrazinyl]propanenitrile is sourced from PubChem (CID 88982335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).