1-(1,4-dimethylcyclohepta-2,4-dien-1-yl)pyrazolidine

C12H20N2 — CID 91126098

IUPAC1-(1,4-dimethylcyclohepta-2,4-dien-1-yl)pyrazolidine
SMILESCC1=CCCC(C)(N2CCCN2)C=C1
InChIInChI=1S/C12H20N2/c1-11-5-3-7-12(2,8-6-11)14-10-4-9-13-14/h5-6,8,13H,3-4,7,9-10H2,1-2H3
InChIKeyTYCVQUMUAYJFSA-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.25
Rot. Bonds1

About 1-(1,4-dimethylcyclohepta-2,4-dien-1-yl)pyrazolidine

1-(1,4-dimethylcyclohepta-2,4-dien-1-yl)pyrazolidine (PubChem CID 91126098) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 1-(1,4-dimethylcyclohepta-2,4-dien-1-yl)pyrazolidine.

Molecular Properties

Compound Name1-(1,4-dimethylcyclohepta-2,4-dien-1-yl)pyrazolidine
PubChem CID91126098
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name1-(1,4-dimethylcyclohepta-2,4-dien-1-yl)pyrazolidine
SMILESCC1=CCCC(C)(N2CCCN2)C=C1
InChIInChI=1S/C12H20N2/c1-11-5-3-7-12(2,8-6-11)14-10-4-9-13-14/h5-6,8,13H,3-4,7,9-10H2,1-2H3
InChIKeyTYCVQUMUAYJFSA-UHFFFAOYSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylcyclohepta-2,4-dien-1-yl)pyrazolidine?
The IUPAC name of 1-(1,4-dimethylcyclohepta-2,4-dien-1-yl)pyrazolidine (CID 91126098) is 1-(1,4-dimethylcyclohepta-2,4-dien-1-yl)pyrazolidine.
What is the SMILES notation for 1-(1,4-dimethylcyclohepta-2,4-dien-1-yl)pyrazolidine?
The canonical SMILES for 1-(1,4-dimethylcyclohepta-2,4-dien-1-yl)pyrazolidine is CC1=CCCC(C)(N2CCCN2)C=C1.
What is the InChIKey of 1-(1,4-dimethylcyclohepta-2,4-dien-1-yl)pyrazolidine?
The InChIKey is TYCVQUMUAYJFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-11-5-3-7-12(2,8-6-11)14-10-4-9-13-14/h5-6,8,13H,3-4,7,9-10H2,1-2H3.
What are the key properties of 1-(1,4-dimethylcyclohepta-2,4-dien-1-yl)pyrazolidine?
1-(1,4-dimethylcyclohepta-2,4-dien-1-yl)pyrazolidine has a molecular weight of 192.31 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethylcyclohepta-2,4-dien-1-yl)pyrazolidine is sourced from PubChem (CID 91126098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).