[1-cyclopropylidene-2-[4-[(3Z,5E)-3-ethenyl-6-pyrrolidin-1-ylhepta-3,5-dienyl]phenyl]ethyl]hydrazine

C24H33N3 — CID 143901717

IUPAC[1-cyclopropylidene-2-[4-[(3Z,5E)-3-ethenyl-6-pyrrolidin-1-ylhepta-3,5-dienyl]phenyl]ethyl]hydrazine
SMILESC=C/C(=C\C=C(/C)N1CCCC1)CCc1ccc(CC(NN)=C2CC2)cc1
InChIInChI=1S/C24H33N3/c1-3-20(7-6-19(2)27-16-4-5-17-27)8-9-21-10-12-22(13-11-21)18-24(26-25)23-14-15-23/h3,6-7,10-13,26H,1,4-5,8-9,14-18,25H2,2H3/b19-6+,20-7+
InChIKeyBIRSIGQNCWPZSI-UPICDLATSA-N
MW363.55 g/mol
LogP4.78
Rot. Bonds9

About [1-cyclopropylidene-2-[4-[(3Z,5E)-3-ethenyl-6-pyrrolidin-1-ylhepta-3,5-dienyl]phenyl]ethyl]hydrazine

[1-cyclopropylidene-2-[4-[(3Z,5E)-3-ethenyl-6-pyrrolidin-1-ylhepta-3,5-dienyl]phenyl]ethyl]hydrazine (PubChem CID 143901717) has the molecular formula C24H33N3 and a molecular weight of 363.55 g/mol. Its IUPAC name is [1-cyclopropylidene-2-[4-[(3Z,5E)-3-ethenyl-6-pyrrolidin-1-ylhepta-3,5-dienyl]phenyl]ethyl]hydrazine.

Molecular Properties

Compound Name[1-cyclopropylidene-2-[4-[(3Z,5E)-3-ethenyl-6-pyrrolidin-1-ylhepta-3,5-dienyl]phenyl]ethyl]hydrazine
PubChem CID143901717
Molecular FormulaC24H33N3
Molecular Weight363.55 g/mol
Exact Mass363.27
IUPAC Name[1-cyclopropylidene-2-[4-[(3Z,5E)-3-ethenyl-6-pyrrolidin-1-ylhepta-3,5-dienyl]phenyl]ethyl]hydrazine
SMILESC=C/C(=C\C=C(/C)N1CCCC1)CCc1ccc(CC(NN)=C2CC2)cc1
InChIInChI=1S/C24H33N3/c1-3-20(7-6-19(2)27-16-4-5-17-27)8-9-21-10-12-22(13-11-21)18-24(26-25)23-14-15-23/h3,6-7,10-13,26H,1,4-5,8-9,14-18,25H2,2H3/b19-6+,20-7+
InChIKeyBIRSIGQNCWPZSI-UPICDLATSA-N
XLogP4.78
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.55
LogP ≤ 54.78
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-[4-[2-(4-pyrrolidin-1-ylphenyl)ethyl]phenyl]acetohydrazide
CID 44539373
N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]pentanamide
CID 110314338
1-pyrrolidin-1-yl-3-(4-pyrrolidin-1-ylphenyl)propan-1-one
CID 110647409
(2S)-2-amino-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]propanamide;hydrochloride
CID 119303606
cis-(1R,3S)-2,2-dimethyl-3-[[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 122099603
1-(3-phenylpropanoyl)piperidine-4-carbohydrazide
CID 54794050
1-(3-aminopiperidin-1-yl)-3-(4-ethylphenyl)propan-1-one
CID 115277223
3-(3,4-dichlorophenyl)-1-pyrrolidin-1-ylpropan-1-one;methanamine
CID 145472486
methyl 1-[3-(4-methylphenyl)propanoyl]piperidine-3-carboxylate
CID 78919193
prop-2-enyl N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]carbamate
CID 108566504
4-(4-but-3-enylphenyl)butan-2-one
CID 102388020
(3R)-1-[3-(4-methylphenyl)propanoyl]piperidine-3-carboxylic acid
CID 81118292

Frequently Asked Questions

What is the IUPAC name of [1-cyclopropylidene-2-[4-[(3Z,5E)-3-ethenyl-6-pyrrolidin-1-ylhepta-3,5-dienyl]phenyl]ethyl]hydrazine?
The IUPAC name of [1-cyclopropylidene-2-[4-[(3Z,5E)-3-ethenyl-6-pyrrolidin-1-ylhepta-3,5-dienyl]phenyl]ethyl]hydrazine (CID 143901717) is [1-cyclopropylidene-2-[4-[(3Z,5E)-3-ethenyl-6-pyrrolidin-1-ylhepta-3,5-dienyl]phenyl]ethyl]hydrazine.
What is the SMILES notation for [1-cyclopropylidene-2-[4-[(3Z,5E)-3-ethenyl-6-pyrrolidin-1-ylhepta-3,5-dienyl]phenyl]ethyl]hydrazine?
The canonical SMILES for [1-cyclopropylidene-2-[4-[(3Z,5E)-3-ethenyl-6-pyrrolidin-1-ylhepta-3,5-dienyl]phenyl]ethyl]hydrazine is C=C/C(=C\C=C(/C)N1CCCC1)CCc1ccc(CC(NN)=C2CC2)cc1.
What is the InChIKey of [1-cyclopropylidene-2-[4-[(3Z,5E)-3-ethenyl-6-pyrrolidin-1-ylhepta-3,5-dienyl]phenyl]ethyl]hydrazine?
The InChIKey is BIRSIGQNCWPZSI-UPICDLATSA-N. The full InChI is InChI=1S/C24H33N3/c1-3-20(7-6-19(2)27-16-4-5-17-27)8-9-21-10-12-22(13-11-21)18-24(26-25)23-14-15-23/h3,6-7,10-13,26H,1,4-5,8-9,14-18,25H2,2H3/b19-6+,20-7+.
What are the key properties of [1-cyclopropylidene-2-[4-[(3Z,5E)-3-ethenyl-6-pyrrolidin-1-ylhepta-3,5-dienyl]phenyl]ethyl]hydrazine?
[1-cyclopropylidene-2-[4-[(3Z,5E)-3-ethenyl-6-pyrrolidin-1-ylhepta-3,5-dienyl]phenyl]ethyl]hydrazine has a molecular weight of 363.55 g/mol, XLogP of 4.78, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-cyclopropylidene-2-[4-[(3Z,5E)-3-ethenyl-6-pyrrolidin-1-ylhepta-3,5-dienyl]phenyl]ethyl]hydrazine is sourced from PubChem (CID 143901717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).