(3S)-1,3-dimethyl-3-prop-1-en-2-ylpyrazolidine

C8H16N2 — CID 134986338

IUPAC(3S)-1,3-dimethyl-3-prop-1-en-2-ylpyrazolidine
SMILESC=C(C)[C@]1(C)CCN(C)N1
InChIInChI=1S/C8H16N2/c1-7(2)8(3)5-6-10(4)9-8/h9H,1,5-6H2,2-4H3/t8-/m0/s1
InChIKeyPUXHRQIHJWOPMJ-QMMMGPOBSA-N
MW140.23 g/mol
LogP1.16
Rot. Bonds1

About (3S)-1,3-dimethyl-3-prop-1-en-2-ylpyrazolidine

(3S)-1,3-dimethyl-3-prop-1-en-2-ylpyrazolidine (PubChem CID 134986338) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is (3S)-1,3-dimethyl-3-prop-1-en-2-ylpyrazolidine.

Molecular Properties

Compound Name(3S)-1,3-dimethyl-3-prop-1-en-2-ylpyrazolidine
PubChem CID134986338
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name(3S)-1,3-dimethyl-3-prop-1-en-2-ylpyrazolidine
SMILESC=C(C)[C@]1(C)CCN(C)N1
InChIInChI=1S/C8H16N2/c1-7(2)8(3)5-6-10(4)9-8/h9H,1,5-6H2,2-4H3/t8-/m0/s1
InChIKeyPUXHRQIHJWOPMJ-QMMMGPOBSA-N
XLogP1.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-5-prop-1-en-2-ylpyrazolidine
CID 123678186

Frequently Asked Questions

What is the IUPAC name of (3S)-1,3-dimethyl-3-prop-1-en-2-ylpyrazolidine?
The IUPAC name of (3S)-1,3-dimethyl-3-prop-1-en-2-ylpyrazolidine (CID 134986338) is (3S)-1,3-dimethyl-3-prop-1-en-2-ylpyrazolidine.
What is the SMILES notation for (3S)-1,3-dimethyl-3-prop-1-en-2-ylpyrazolidine?
The canonical SMILES for (3S)-1,3-dimethyl-3-prop-1-en-2-ylpyrazolidine is C=C(C)[C@]1(C)CCN(C)N1.
What is the InChIKey of (3S)-1,3-dimethyl-3-prop-1-en-2-ylpyrazolidine?
The InChIKey is PUXHRQIHJWOPMJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H16N2/c1-7(2)8(3)5-6-10(4)9-8/h9H,1,5-6H2,2-4H3/t8-/m0/s1.
What are the key properties of (3S)-1,3-dimethyl-3-prop-1-en-2-ylpyrazolidine?
(3S)-1,3-dimethyl-3-prop-1-en-2-ylpyrazolidine has a molecular weight of 140.23 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1,3-dimethyl-3-prop-1-en-2-ylpyrazolidine is sourced from PubChem (CID 134986338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).