1,5-dimethyl-4-[(1Z)-2-methylbuta-1,3-dienyl]pyrazolidine

C10H18N2 — CID 129180685

IUPAC1,5-dimethyl-4-[(1Z)-2-methylbuta-1,3-dienyl]pyrazolidine
SMILESC=C/C(C)=C\C1CNN(C)C1C
InChIInChI=1S/C10H18N2/c1-5-8(2)6-10-7-11-12(4)9(10)3/h5-6,9-11H,1,7H2,2-4H3/b8-6-
InChIKeyYHJPQKPOXCLPHN-VURMDHGXSA-N
MW166.27 g/mol
LogP1.57
Rot. Bonds2

About 1,5-dimethyl-4-[(1Z)-2-methylbuta-1,3-dienyl]pyrazolidine

1,5-dimethyl-4-[(1Z)-2-methylbuta-1,3-dienyl]pyrazolidine (PubChem CID 129180685) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 1,5-dimethyl-4-[(1Z)-2-methylbuta-1,3-dienyl]pyrazolidine.

Molecular Properties

Compound Name1,5-dimethyl-4-[(1Z)-2-methylbuta-1,3-dienyl]pyrazolidine
PubChem CID129180685
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name1,5-dimethyl-4-[(1Z)-2-methylbuta-1,3-dienyl]pyrazolidine
SMILESC=C/C(C)=C\C1CNN(C)C1C
InChIInChI=1S/C10H18N2/c1-5-8(2)6-10-7-11-12(4)9(10)3/h5-6,9-11H,1,7H2,2-4H3/b8-6-
InChIKeyYHJPQKPOXCLPHN-VURMDHGXSA-N
XLogP1.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.57
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 1,5-dimethyl-4-[(1Z)-2-methylbuta-1,3-dienyl]pyrazolidine?
The IUPAC name of 1,5-dimethyl-4-[(1Z)-2-methylbuta-1,3-dienyl]pyrazolidine (CID 129180685) is 1,5-dimethyl-4-[(1Z)-2-methylbuta-1,3-dienyl]pyrazolidine.
What is the SMILES notation for 1,5-dimethyl-4-[(1Z)-2-methylbuta-1,3-dienyl]pyrazolidine?
The canonical SMILES for 1,5-dimethyl-4-[(1Z)-2-methylbuta-1,3-dienyl]pyrazolidine is C=C/C(C)=C\C1CNN(C)C1C.
What is the InChIKey of 1,5-dimethyl-4-[(1Z)-2-methylbuta-1,3-dienyl]pyrazolidine?
The InChIKey is YHJPQKPOXCLPHN-VURMDHGXSA-N. The full InChI is InChI=1S/C10H18N2/c1-5-8(2)6-10-7-11-12(4)9(10)3/h5-6,9-11H,1,7H2,2-4H3/b8-6-.
What are the key properties of 1,5-dimethyl-4-[(1Z)-2-methylbuta-1,3-dienyl]pyrazolidine?
1,5-dimethyl-4-[(1Z)-2-methylbuta-1,3-dienyl]pyrazolidine has a molecular weight of 166.27 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-4-[(1Z)-2-methylbuta-1,3-dienyl]pyrazolidine is sourced from PubChem (CID 129180685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).