3,4-dimethylidene-1-propan-2-ylpyrrolidine

C9H15N — CID 12607506

IUPAC3,4-dimethylidene-1-propan-2-ylpyrrolidine
SMILESC=C1CN(C(C)C)CC1=C
InChIInChI=1S/C9H15N/c1-7(2)10-5-8(3)9(4)6-10/h7H,3-6H2,1-2H3
InChIKeyQMXRRXVNSZIYFA-UHFFFAOYSA-N
MW137.23 g/mol
LogP1.82
Rot. Bonds1

About 3,4-dimethylidene-1-propan-2-ylpyrrolidine

3,4-dimethylidene-1-propan-2-ylpyrrolidine (PubChem CID 12607506) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 3,4-dimethylidene-1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name3,4-dimethylidene-1-propan-2-ylpyrrolidine
PubChem CID12607506
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name3,4-dimethylidene-1-propan-2-ylpyrrolidine
SMILESC=C1CN(C(C)C)CC1=C
InChIInChI=1S/C9H15N/c1-7(2)10-5-8(3)9(4)6-10/h7H,3-6H2,1-2H3
InChIKeyQMXRRXVNSZIYFA-UHFFFAOYSA-N
XLogP1.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Methyl-3,4-dimethylidenepyrrolidine
CID 12607505
1,1-Dimethyl-3,4-dimethylidenepyrrolidin-1-ium iodide
CID 12607512
1,1-Dimethyl-3,4-dimethylenepyrrolidin-1-ium chloride
CID 15930704
1-But-3-en-2-ylpyrrolidine
CID 57120204
1,1-Dimethyl-3,4-dimethylidenepyrrolidin-1-ium bromide
CID 71421071
(3E)-1-tert-butyl-3-(fluoromethylidene)pyrrolidine
CID 178521612
Pyrrolidine, N-(3-methyl-3-butenyl)-
CID 558410
1,1-Dimethyl-3-methylidenepyrrolidin-1-ium bromide
CID 10583890
1-Tert-butyl-3-methyl-4-methylidenepyrrolidine
CID 11412486
1-Tert-butyl-3,4-dimethylidenepyrrolidine
CID 12607507
1-(3-Fluoro-2-methylidenebut-3-enyl)pyrrolidine
CID 153363429
1-Methyl-3-methylidenepyrrolidine
CID 10772936

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethylidene-1-propan-2-ylpyrrolidine?
The IUPAC name of 3,4-dimethylidene-1-propan-2-ylpyrrolidine (CID 12607506) is 3,4-dimethylidene-1-propan-2-ylpyrrolidine.
What is the SMILES notation for 3,4-dimethylidene-1-propan-2-ylpyrrolidine?
The canonical SMILES for 3,4-dimethylidene-1-propan-2-ylpyrrolidine is C=C1CN(C(C)C)CC1=C.
What is the InChIKey of 3,4-dimethylidene-1-propan-2-ylpyrrolidine?
The InChIKey is QMXRRXVNSZIYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-7(2)10-5-8(3)9(4)6-10/h7H,3-6H2,1-2H3.
What are the key properties of 3,4-dimethylidene-1-propan-2-ylpyrrolidine?
3,4-dimethylidene-1-propan-2-ylpyrrolidine has a molecular weight of 137.23 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethylidene-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 12607506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).