4-[(1Z)-buta-1,3-dienyl]-1-(2,5-dimethylcyclohexa-1,5-dien-1-yl)-3-methylpyrazolidine

C16H24N2 — CID 88560144

IUPAC4-[(1Z)-buta-1,3-dienyl]-1-(2,5-dimethylcyclohexa-1,5-dien-1-yl)-3-methylpyrazolidine
SMILESC=C/C=C\C1CN(C2=C(C)CCC(C)=C2)NC1C
InChIInChI=1S/C16H24N2/c1-5-6-7-15-11-18(17-14(15)4)16-10-12(2)8-9-13(16)3/h5-7,10,14-15,17H,1,8-9,11H2,2-4H3/b7-6-
InChIKeyUZWFOBCOVIOLGJ-SREVYHEPSA-N
MW244.38 g/mol
LogP3.57
Rot. Bonds3

About 4-[(1Z)-buta-1,3-dienyl]-1-(2,5-dimethylcyclohexa-1,5-dien-1-yl)-3-methylpyrazolidine

4-[(1Z)-buta-1,3-dienyl]-1-(2,5-dimethylcyclohexa-1,5-dien-1-yl)-3-methylpyrazolidine (PubChem CID 88560144) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 4-[(1Z)-buta-1,3-dienyl]-1-(2,5-dimethylcyclohexa-1,5-dien-1-yl)-3-methylpyrazolidine.

Molecular Properties

Compound Name4-[(1Z)-buta-1,3-dienyl]-1-(2,5-dimethylcyclohexa-1,5-dien-1-yl)-3-methylpyrazolidine
PubChem CID88560144
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name4-[(1Z)-buta-1,3-dienyl]-1-(2,5-dimethylcyclohexa-1,5-dien-1-yl)-3-methylpyrazolidine
SMILESC=C/C=C\C1CN(C2=C(C)CCC(C)=C2)NC1C
InChIInChI=1S/C16H24N2/c1-5-6-7-15-11-18(17-14(15)4)16-10-12(2)8-9-13(16)3/h5-7,10,14-15,17H,1,8-9,11H2,2-4H3/b7-6-
InChIKeyUZWFOBCOVIOLGJ-SREVYHEPSA-N
XLogP3.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(1Z)-buta-1,3-dienyl]-1-(2,5-dimethylcyclohexa-1,5-dien-1-yl)-3-methylpyrazolidine?
The IUPAC name of 4-[(1Z)-buta-1,3-dienyl]-1-(2,5-dimethylcyclohexa-1,5-dien-1-yl)-3-methylpyrazolidine (CID 88560144) is 4-[(1Z)-buta-1,3-dienyl]-1-(2,5-dimethylcyclohexa-1,5-dien-1-yl)-3-methylpyrazolidine.
What is the SMILES notation for 4-[(1Z)-buta-1,3-dienyl]-1-(2,5-dimethylcyclohexa-1,5-dien-1-yl)-3-methylpyrazolidine?
The canonical SMILES for 4-[(1Z)-buta-1,3-dienyl]-1-(2,5-dimethylcyclohexa-1,5-dien-1-yl)-3-methylpyrazolidine is C=C/C=C\C1CN(C2=C(C)CCC(C)=C2)NC1C.
What is the InChIKey of 4-[(1Z)-buta-1,3-dienyl]-1-(2,5-dimethylcyclohexa-1,5-dien-1-yl)-3-methylpyrazolidine?
The InChIKey is UZWFOBCOVIOLGJ-SREVYHEPSA-N. The full InChI is InChI=1S/C16H24N2/c1-5-6-7-15-11-18(17-14(15)4)16-10-12(2)8-9-13(16)3/h5-7,10,14-15,17H,1,8-9,11H2,2-4H3/b7-6-.
What are the key properties of 4-[(1Z)-buta-1,3-dienyl]-1-(2,5-dimethylcyclohexa-1,5-dien-1-yl)-3-methylpyrazolidine?
4-[(1Z)-buta-1,3-dienyl]-1-(2,5-dimethylcyclohexa-1,5-dien-1-yl)-3-methylpyrazolidine has a molecular weight of 244.38 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1Z)-buta-1,3-dienyl]-1-(2,5-dimethylcyclohexa-1,5-dien-1-yl)-3-methylpyrazolidine is sourced from PubChem (CID 88560144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).