1-methyl-5-prop-1-en-2-ylpyrazolidine

C7H14N2 — CID 123678186

IUPAC1-methyl-5-prop-1-en-2-ylpyrazolidine
SMILESC=C(C)C1CCNN1C
InChIInChI=1S/C7H14N2/c1-6(2)7-4-5-8-9(7)3/h7-8H,1,4-5H2,2-3H3
InChIKeyXUSIKUJAYYXNSY-UHFFFAOYSA-N
MW126.20 g/mol
LogP0.77
Rot. Bonds1

About 1-methyl-5-prop-1-en-2-ylpyrazolidine

1-methyl-5-prop-1-en-2-ylpyrazolidine (PubChem CID 123678186) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 1-methyl-5-prop-1-en-2-ylpyrazolidine.

Molecular Properties

Compound Name1-methyl-5-prop-1-en-2-ylpyrazolidine
PubChem CID123678186
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name1-methyl-5-prop-1-en-2-ylpyrazolidine
SMILESC=C(C)C1CCNN1C
InChIInChI=1S/C7H14N2/c1-6(2)7-4-5-8-9(7)3/h7-8H,1,4-5H2,2-3H3
InChIKeyXUSIKUJAYYXNSY-UHFFFAOYSA-N
XLogP0.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 50.77
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

(3S)-1,3-dimethyl-3-prop-1-en-2-ylpyrazolidine
CID 134986338
3-Methyl-4-methylidenepyrazolidine
CID 58995820
(2R)-2-methyl-4-methylidenepyrrolidin-1-amine
CID 89010672
3,5-Dimethyl-4-methylidenepyrazolidine
CID 123346046
5-Ethenyl-1,3-dimethylpyrazolidine
CID 141786804
(2E,5Z)-6-ethyl-3-(1-methylpyrazolidin-3-yl)nona-2,5-diene-1,4-diamine
CID 146579877
3-hydrazinyl-N,N,4-trimethylpent-4-en-1-amine
CID 105259365
2-Prop-1-en-2-ylpyrrolidin-1-amine
CID 143359251
(2S)-N-methyl-2-prop-1-en-2-ylpyrrolidin-1-amine
CID 143401669

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-prop-1-en-2-ylpyrazolidine?
The IUPAC name of 1-methyl-5-prop-1-en-2-ylpyrazolidine (CID 123678186) is 1-methyl-5-prop-1-en-2-ylpyrazolidine.
What is the SMILES notation for 1-methyl-5-prop-1-en-2-ylpyrazolidine?
The canonical SMILES for 1-methyl-5-prop-1-en-2-ylpyrazolidine is C=C(C)C1CCNN1C.
What is the InChIKey of 1-methyl-5-prop-1-en-2-ylpyrazolidine?
The InChIKey is XUSIKUJAYYXNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-6(2)7-4-5-8-9(7)3/h7-8H,1,4-5H2,2-3H3.
What are the key properties of 1-methyl-5-prop-1-en-2-ylpyrazolidine?
1-methyl-5-prop-1-en-2-ylpyrazolidine has a molecular weight of 126.20 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-prop-1-en-2-ylpyrazolidine is sourced from PubChem (CID 123678186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).