2,2-dimethyl-4-methylidene-1-propan-2-ylpyrrolidine

C10H19N — CID 153353039

IUPAC2,2-dimethyl-4-methylidene-1-propan-2-ylpyrrolidine
SMILESC=C1CN(C(C)C)C(C)(C)C1
InChIInChI=1S/C10H19N/c1-8(2)11-7-9(3)6-10(11,4)5/h8H,3,6-7H2,1-2,4-5H3
InChIKeyCMKHIOQJFDPUDO-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.44
Rot. Bonds1

About 2,2-dimethyl-4-methylidene-1-propan-2-ylpyrrolidine

2,2-dimethyl-4-methylidene-1-propan-2-ylpyrrolidine (PubChem CID 153353039) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 2,2-dimethyl-4-methylidene-1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name2,2-dimethyl-4-methylidene-1-propan-2-ylpyrrolidine
PubChem CID153353039
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name2,2-dimethyl-4-methylidene-1-propan-2-ylpyrrolidine
SMILESC=C1CN(C(C)C)C(C)(C)C1
InChIInChI=1S/C10H19N/c1-8(2)11-7-9(3)6-10(11,4)5/h8H,3,6-7H2,1-2,4-5H3
InChIKeyCMKHIOQJFDPUDO-UHFFFAOYSA-N
XLogP2.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(1-Isopropyl-2-methyl-2,3-butadienyl)pyrrolidine
CID 337533
(4E)-4-(fluoromethylidene)-1-methyl-2-(2-methylpropyl)pyrrolidine
CID 162730758
(4Z)-4-(fluoromethylidene)-1-methyl-2-propan-2-ylpyrrolidine
CID 163514840
(4E)-4-(fluoromethylidene)-1-methyl-2-propan-2-ylpyrrolidine
CID 164062077
(4Z)-4-(fluoromethylidene)-1-methyl-2-(2-methylpropyl)pyrrolidine
CID 166984290
(4Z)-2-ethyl-4-(fluoromethylidene)-1-methyl-2-propylpyrrolidine
CID 170622490
(2S)-2-(fluoromethyl)-4-methylidene-1-(2-methylpropyl)pyrrolidine
CID 174855048
(1R)-1-ethyl-2-(2-fluoroethyl)-1,2-dimethyl-3-methylidenepyrrolidin-1-ium
CID 175614657
(2S,4Z)-4-(fluoromethylidene)-1,2-dimethyl-2-propylpyrrolidine
CID 176919337
(4Z)-4-(fluoromethylidene)-1,2,2-trimethylpyrrolidine
CID 176919452
(4Z)-4-(fluoromethylidene)-1,2-dimethyl-2-propylpyrrolidine
CID 176919814
(2R,4E)-4-(fluoromethylidene)-2-methyl-1-propan-2-ylpyrrolidine
CID 178087783

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-methylidene-1-propan-2-ylpyrrolidine?
The IUPAC name of 2,2-dimethyl-4-methylidene-1-propan-2-ylpyrrolidine (CID 153353039) is 2,2-dimethyl-4-methylidene-1-propan-2-ylpyrrolidine.
What is the SMILES notation for 2,2-dimethyl-4-methylidene-1-propan-2-ylpyrrolidine?
The canonical SMILES for 2,2-dimethyl-4-methylidene-1-propan-2-ylpyrrolidine is C=C1CN(C(C)C)C(C)(C)C1.
What is the InChIKey of 2,2-dimethyl-4-methylidene-1-propan-2-ylpyrrolidine?
The InChIKey is CMKHIOQJFDPUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-8(2)11-7-9(3)6-10(11,4)5/h8H,3,6-7H2,1-2,4-5H3.
What are the key properties of 2,2-dimethyl-4-methylidene-1-propan-2-ylpyrrolidine?
2,2-dimethyl-4-methylidene-1-propan-2-ylpyrrolidine has a molecular weight of 153.27 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-methylidene-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 153353039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).