1-[4-[(E)-but-2-enyl]cyclohex-3-en-1-yl]cyclohexa-1,3-diene;cyclohexa-1,5-dien-1-ylhydrazine

C22H32N2 — CID 145452318

IUPAC1-[4-[(E)-but-2-enyl]cyclohex-3-en-1-yl]cyclohexa-1,3-diene;cyclohexa-1,5-dien-1-ylhydrazine
SMILESC/C=C/CC1=CCC(C2=CC=CCC2)CC1.NNC1=CCCC=C1
InChIInChI=1S/C16H22.C6H10N2/c1-2-3-7-14-10-12-16(13-11-14)15-8-5-4-6-9-15;7-8-6-4-2-1-3-5-6/h2-5,8,10,16H,6-7,9,11-13H2,1H3;2,4-5,8H,1,3,7H2/b3-2+;
InChIKeyCLGMMAHTENSAMN-SQQVDAMQSA-N
MW324.51 g/mol
LogP5.64
Rot. Bonds4

About 1-[4-[(E)-but-2-enyl]cyclohex-3-en-1-yl]cyclohexa-1,3-diene;cyclohexa-1,5-dien-1-ylhydrazine

1-[4-[(E)-but-2-enyl]cyclohex-3-en-1-yl]cyclohexa-1,3-diene;cyclohexa-1,5-dien-1-ylhydrazine (PubChem CID 145452318) has the molecular formula C22H32N2 and a molecular weight of 324.51 g/mol. Its IUPAC name is 1-[4-[(E)-but-2-enyl]cyclohex-3-en-1-yl]cyclohexa-1,3-diene;cyclohexa-1,5-dien-1-ylhydrazine.

Molecular Properties

Compound Name1-[4-[(E)-but-2-enyl]cyclohex-3-en-1-yl]cyclohexa-1,3-diene;cyclohexa-1,5-dien-1-ylhydrazine
PubChem CID145452318
Molecular FormulaC22H32N2
Molecular Weight324.51 g/mol
Exact Mass324.26
IUPAC Name1-[4-[(E)-but-2-enyl]cyclohex-3-en-1-yl]cyclohexa-1,3-diene;cyclohexa-1,5-dien-1-ylhydrazine
SMILESC/C=C/CC1=CCC(C2=CC=CCC2)CC1.NNC1=CCCC=C1
InChIInChI=1S/C16H22.C6H10N2/c1-2-3-7-14-10-12-16(13-11-14)15-8-5-4-6-9-15;7-8-6-4-2-1-3-5-6/h2-5,8,10,16H,6-7,9,11-13H2,1H3;2,4-5,8H,1,3,7H2/b3-2+;
InChIKeyCLGMMAHTENSAMN-SQQVDAMQSA-N
XLogP5.64
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.51
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-[4-[(E)-but-2-enyl]cyclohex-3-en-1-yl]cyclohexa-1,3-diene;cyclohexa-1,5-dien-1-ylhydrazine?
The IUPAC name of 1-[4-[(E)-but-2-enyl]cyclohex-3-en-1-yl]cyclohexa-1,3-diene;cyclohexa-1,5-dien-1-ylhydrazine (CID 145452318) is 1-[4-[(E)-but-2-enyl]cyclohex-3-en-1-yl]cyclohexa-1,3-diene;cyclohexa-1,5-dien-1-ylhydrazine.
What is the SMILES notation for 1-[4-[(E)-but-2-enyl]cyclohex-3-en-1-yl]cyclohexa-1,3-diene;cyclohexa-1,5-dien-1-ylhydrazine?
The canonical SMILES for 1-[4-[(E)-but-2-enyl]cyclohex-3-en-1-yl]cyclohexa-1,3-diene;cyclohexa-1,5-dien-1-ylhydrazine is C/C=C/CC1=CCC(C2=CC=CCC2)CC1.NNC1=CCCC=C1.
What is the InChIKey of 1-[4-[(E)-but-2-enyl]cyclohex-3-en-1-yl]cyclohexa-1,3-diene;cyclohexa-1,5-dien-1-ylhydrazine?
The InChIKey is CLGMMAHTENSAMN-SQQVDAMQSA-N. The full InChI is InChI=1S/C16H22.C6H10N2/c1-2-3-7-14-10-12-16(13-11-14)15-8-5-4-6-9-15;7-8-6-4-2-1-3-5-6/h2-5,8,10,16H,6-7,9,11-13H2,1H3;2,4-5,8H,1,3,7H2/b3-2+;.
What are the key properties of 1-[4-[(E)-but-2-enyl]cyclohex-3-en-1-yl]cyclohexa-1,3-diene;cyclohexa-1,5-dien-1-ylhydrazine?
1-[4-[(E)-but-2-enyl]cyclohex-3-en-1-yl]cyclohexa-1,3-diene;cyclohexa-1,5-dien-1-ylhydrazine has a molecular weight of 324.51 g/mol, XLogP of 5.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(E)-but-2-enyl]cyclohex-3-en-1-yl]cyclohexa-1,3-diene;cyclohexa-1,5-dien-1-ylhydrazine is sourced from PubChem (CID 145452318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).